Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16742675 | 0.81 | S1PR4 (0.34) | ADORA2AADORA1KDM4EALDH1A1MAPT | |
| SCHEMBL30082515 | 0.81 | S1PR4 (0.34) | ADORA2AADORA1KDM4EALDH1A1MAPT | |
| SCHEMBL29364421 | 0.79 | TSHR (0.44) | KDM4EHPGDSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL4573272 | 0.79 | TSHR (0.44) | KDM4EHPGDSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL14290550 | 0.79 | S1PR4 (0.53) | KDM4EMAPK1HSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL27409803 | 0.78 | TLR8 (0.49) | ADORA2AADORA1KDM4EMAPK1HSD17B10 | |
| SCHEMBL34466130 | 0.78 | TLR8 (0.49) | ADORA2AADORA1KDM4EMAPK1HSD17B10 | |
| SCHEMBL3579306 | 0.77 | SMN1; SMN2 (0.44) | ADORA2AADORA1KDM4EMAPK1HSD17B10 | |
| SCHEMBL12051661 | 0.77 | KDM4E (0.41) | ADORA2AADORA1KDM4EMAPK1HSD17B10 | |
| SCHEMBL4573187 | 0.77 | KDM4E (0.50) | KDM4EMAPK1SMN1; SMN2ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |