Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | OGA | O60502 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11238 | 1.00 | TDP1 (0.43) | TDP1MAPK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL11433 | 1.00 | TDP1 (0.43) | TDP1MAPK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL12818771 | 0.96 | TDP1 (0.40) | TDP1MAPK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL10751 | 0.84 | ALDH1A1 (0.53) | MAPK1ALDH1A1CYP3A4MAPTNPC1 | |
| SCHEMBL30679206 | 0.81 | ALDH1A1 (0.45) | TDP1MAPK1ALDH1A1CYP3A4TSHR | |
| SCHEMBL17707975 | 0.81 | ACHE (0.41) | TDP1ALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL9856281 | 0.79 | ESR2 (0.45) | APPKDM4E | |
| SCHEMBL2833080 | 0.79 | LDHA (0.42) | TDP1MAPK1ALDH1A1TSHRMAPT | |
| SCHEMBL23674125 | 0.79 | MAOB (0.44) | MAOB | |
| SCHEMBL506831 | 0.79 | MAOB (0.44) | MAOB |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2507239-B1 | AZACYCLIC SPIRO DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2019-03-13 | — | — | EP | disclosed |
| CN-103068826-B | Nitrogen heterocyclic | 霍夫曼-拉罗奇有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-102639533-B | Azacyclo-spiro derivative | 霍夫曼-拉罗奇有限公司 | 2016-08-03 | — | — | CN | disclosed |
| US-20150148363-A1 | NEW AZACYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2015-05-28 | — | — | US | disclosed |
| EP-2488493-B1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2015-04-15 | — | — | EP | disclosed |
| US-20140005400-A1 | NEW AZACYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2014-01-02 | — | — | US | disclosed |
| US-8552024-B2 | Azacyclic compounds | HOFFMAN-LA ROCHE INC. (US) | 2013-10-08 | — | — | US | disclosed |
| EP-2603510-A1 | NEW AZACYCLIC COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| US-8440710-B2 | HSL inhibitors useful in the treatment of diabetes | HOFFMANN-LA ROCHE INC. (US) | 2013-05-14 | — | — | US | disclosed |
| US-8389539-B2 | Azacyclic derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-03-05 | — | — | US | disclosed |
| EP-2507239-A1 | AZACYCLIC SPIRO DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-10 | — | — | EP | disclosed |
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2012020035-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| US-20120041013-A1 | NEW AZACYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | US | disclosed |
| WO-2011067166-A1 | AZACYCLIC SPIRO DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-09 | — | — | WO | disclosed |
| US-20110130417-A1 | NEW AZACYCLIC DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2011-06-02 | — | — | US | disclosed |
| US-20110092512-A1 | NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | US | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | 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 (5 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-20110130417-A1 | NEW AZACYCLIC DERIVATIVES | AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 | TDP1 1258/4885MAPK1 3873/4885ALDH1A1 120/4885 |
| US-20140005400-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TDP1 2626/4885MAPK1 3314/4885ALDH1A1 451/4885 |
| US-20120041013-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TDP1 2626/4885MAPK1 3314/4885ALDH1A1 451/4885 |
| US-20110092512-A1 | NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES | LPL, MGLL, LIPE | TDP1 3555/4885MAPK1 2336/4885ALDH1A1 1748/4885 |
| US-20150148363-A1 | NEW AZACYCLIC COMPOUNDS | LIPE, GPR119, LIPC | TDP1 2626/4885MAPK1 3314/4885ALDH1A1 451/4885 |
“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.