Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12908868 | 0.88 | ERN1 (0.38) | CYP19A1ERN1IDO1TSHRLMNA | |
| SCHEMBL12908867 | 0.84 | TP53 (0.44) | LMNACYP3A4SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL12908866 | 0.83 | ALDH1A1 (0.45) | TSHRLMNACYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL96364 | 0.82 | TSHR (0.57) | TSHRLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL1212 | 0.81 | IDO1 (0.61) | IDO1TSHRLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL96621 | 0.78 | ALDH1A1 (0.42) | CYP19A1TSHRCYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL11273785 | 0.78 | CYP19A1 (0.50) | CYP19A1IDO1TSHRLMNAVCAM1 | |
| SCHEMBL9808020 | 0.76 | CYP19A1 (0.48) | CYP19A1IDO1TSHRLMNAVCAM1 | |
| SCHEMBL535425 | 0.76 | IDO1 (0.66) | CYP19A1IDO1TSHRLMNAVCAM1 | |
| SCHEMBL19766404 | 0.75 | CYP19A1 (0.52) | CYP19A1ERN1TSHRLMNAVCAM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108430998-B | Azabicyclo derivatives, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2021-07-09 | — | — | CN | disclosed |
| EP-1081149-B1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6372749-B1 | PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2002-04-16 | — | — | US | disclosed |
| EP-1081149-A1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-03-07 | — | — | EP | disclosed |