Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531270 | 0.84 | AOC3 (0.45) | TSHRTDP1NR5A1CA12CA1 | |
| SCHEMBL11923823 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1NQO1SMN1; SMN2TSHR | |
| SCHEMBL28040051 | 0.78 | MAPT (0.47) | KDM4EALDH1A1TSHRTDP1MAPT | |
| SCHEMBL28144592 | 0.77 | CYP1A2 (0.40) | KDM4EALDH1A1SMN1; SMN2TDP1MAPT | |
| SCHEMBL7187972 | 0.77 | NQO1 (0.54) | KDM4EALDH1A1NQO1SMN1; SMN2TSHR | |
| SCHEMBL253120 | 0.76 | NPC1 (0.47) | TDP1RAB9AADRA2A | |
| SCHEMBL9823058 | 0.74 | KDM4E (0.57) | KDM4EALDH1A1NQO1SMN1; SMN2MAPT | |
| SCHEMBL6477185 | 0.74 | NPC1 (0.50) | RAB9A | |
| SCHEMBL6488829 | 0.74 | NPC1 (0.50) | RAB9A | |
| SCHEMBL6487469 | 0.74 | NPC1 (0.50) | RAB9A |
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 |