Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8282545 | 0.86 | MAPT (0.47) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL8281642 | 0.85 | MAPT (0.50) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL8280939 | 0.85 | MAPT (0.50) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL8280938 | 0.81 | MAPT (0.49) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL2088807 | 0.72 | MAPT (0.69) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL14409749 | 0.69 | ESR2 (0.52) | MAPTALDH1A1POLBHPGDCYP2C9 | |
| SCHEMBL2090020 | 0.68 | NPC1 (0.57) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL2093543 | 0.67 | NPSR1 (0.52) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL6530672 | 0.67 | S1PR1 (0.47) | MAPTALDH1A1POLBKDM4EHPGD | |
| SCHEMBL9406398 | 0.66 | LTA4H (0.42) | KMT2AMEN1 |
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 1 patent. 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 |