Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4420130 | 0.82 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3791629 | 0.79 | HPGD (0.51) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL25198363 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL30496159 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL2019587 | 0.78 | HPGD (0.39) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL7213726 | 0.76 | HPGD (0.49) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL31446400 | 0.76 | ALDH1A1 (0.47) | KLKB1ALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL15436874 | 0.76 | HPGD (0.41) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL10527716 | 0.76 | HPGD (0.41) | ALDH1A1KDM4EHPGDCYP1A2CYP2D6 | |
| SCHEMBL14510730 | 0.76 | HPGD (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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-117964547-A | Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor | 瀚远医药有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-117820199-A | Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors | 瀚远医药有限公司 | 2024-04-05 | — | — | CN | disclosed |
| EP-2432555-A1 | N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS | Incyte Corporation (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135650-A1 | N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2010-11-25 | — | — | WO | disclosed |