Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31575837 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL17977006 | 0.85 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL22149198 | 0.82 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL21404560 | 0.78 | CREBBP (0.41) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL12731668 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL31372447 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 | |
| SCHEMBL17654365 | 0.76 | LRRK2 (0.35) | — | |
| SCHEMBL29683489 | 0.76 | CKS1B (0.44) | ALDH1A1MAPTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL1561442 | 0.76 | CKS1B (0.44) | ALDH1A1MAPTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL31212828 | 0.75 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19MAPTCYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160280699-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-09-29 | — | — | US | disclosed |
| US-20160244437-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-08-25 | — | — | US | disclosed |
| EP-3049403-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | Bayer Pharma Aktiengesellschaft (DE) | 2016-08-03 | — | — | EP | disclosed |
| EP-3049394-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA | Bayer Pharma Aktiengesellschaft (DE) | 2016-08-03 | — | — | EP | disclosed |
| EP-2483277-B1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE (CH) | 2015-12-02 | — | — | EP | disclosed |
| US-9175009-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| WO-2015044167-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-04-02 | — | — | WO | disclosed |
| WO-2015044172-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-04-02 | — | — | WO | disclosed |
| US-20150094347-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2015-04-02 | — | — | US | disclosed |
| US-8952043-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | GENETECH, INC. (US) | 2015-02-10 | — | — | US | disclosed |
| US-20140135308-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-8673952-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2014-03-18 | — | — | US | disclosed |
| US-20130012488-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BLAQUIERE NICOLE (US) | 2013-01-10 | — | — | US | disclosed |
| US-8263633-B2 | Benzoxepin PI3K inhibitor compounds and methods of use | F. HOFFMAN-LA ROCHE AG (CH) | 2012-09-11 | — | — | US | disclosed |
| US-20110076291-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130012488-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, PIK3R2 | ALDH1A1 4119/4885CYP1A2 728/4885CYP2C19 525/4885 |
| US-20110076291-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | ALDH1A1 4809/4885CYP1A2 867/4885CYP2C19 1599/4885 |
| US-20150094347-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | ALDH1A1 4809/4885CYP1A2 867/4885CYP2C19 1599/4885 |
| US-20140135308-A1 | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | BMX, NR2E1, NR2E3 | ALDH1A1 4809/4885CYP1A2 867/4885CYP2C19 1599/4885 |
| US-20160244437-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | PAH, PEPD, AADAT | ALDH1A1 1067/4885CYP1A2 564/4885CYP2C19 280/4885 |
| US-20160280699-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | PAH, PEPD, AADAT | ALDH1A1 1093/4885CYP1A2 576/4885CYP2C19 282/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.