Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SELE | P16581 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899247 | 0.85 | ALDH1A1 (0.44) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL463190 | 0.83 | CDC7 (0.39) | ALDH1A1NOS3NOS2CDC7DBF4 | |
| SCHEMBL857518 | 0.83 | ALDH1A1 (0.37) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL24583418 | 0.80 | ALDH1A1 (0.38) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL856427 | 0.77 | ALDH1A1 (0.39) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL21919675 | 0.77 | HRH1 (0.38) | ALDH1A1LMNASMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL856786 | 0.77 | ALDH1A1 (0.36) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL22863895 | 0.76 | ALDH1A1 (0.38) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL6033729 | 0.76 | NOS2 (0.44) | ALDH1A1SELEVCAM1LMNASMN1; SMN2 | |
| SCHEMBL857245 | 0.74 | PIK3CD (0.34) | ALDH1A1LMNASMN1; SMN2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3757093-A1 | DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2020-12-30 | — | — | EP | disclosed |
| EP-2621903-B1 | N-HETEROARYL COMPOUNDS | INTERVET INT BV (NL) | 2017-03-01 | — | — | EP | disclosed |
| US-8877934-B2 | N-heteroaryl compounds | INTERVET INC. (US) | 2014-11-04 | — | — | US | disclosed |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2621903-A1 | N-HETEROARYL COMPOUNDS | Intervet International B.V. (NL) | 2013-08-07 | — | — | EP | disclosed |
| US-20130196993-A1 | N-HETEROARYL COMPOUNDS | INTERVET INC. | 2013-08-01 | — | — | US | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | disclosed |
| WO-2012041873-A1 | N-HETEROARYL COMPOUNDS | INTERVET INTERNATIONAL B.V. (NL) | 2012-04-05 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | 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 (3 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-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3395/4885SELE 4481/4885VCAM1 4475/4885 |
| US-20130196993-A1 | N-HETEROARYL COMPOUNDS | HNMT, SQLE, PIGO | ALDH1A1 1345/4885SELE 2596/4885VCAM1 4430/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3049/4885SELE 4655/4885VCAM1 4510/4885 |
“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.