Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.62 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.49 |
| ▸ | TSPO | P30536 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1221497 | 0.85 | NOTUM (0.48) | NOTUMCYP2C9NPC1RAB9AHTT | |
| SCHEMBL11397855 | 0.85 | NPC1 (0.47) | NOTUMCYP2C9NPC1RAB9AHTT | |
| SCHEMBL1441397 | 0.84 | NOTUM (0.56) | NOTUMP2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL2120020 | 0.83 | NOTUM (0.64) | NOTUMP2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL12017168 | 0.78 | NOTUM (0.49) | NOTUMP2RY14TSPOCYP2C9TMEM97 | |
| SCHEMBL1313626 | 0.77 | NOTUM (1.00) | NOTUMCYP2C9NPC1RAB9AHTT | |
| SCHEMBL1544352 | 0.77 | NOTUM (0.72) | NOTUMCYP2C9NPC1RAB9A | |
| SCHEMBL2318106 | 0.77 | KDR (0.60) | NOTUMNPC1RAB9AHTTALDH1A1 | |
| SCHEMBL23221331 | 0.75 | NPC1 (0.51) | NOTUMNPC1RAB9AHTTALDH1A1 | |
| SCHEMBL1198267 | 0.74 | KDM4E (0.59) | SIGMAR1RAB9AALDH1A1 |
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-1998015541-A1 | NOVEL ISOXAZOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS | EGIS Gyógyszergyár Rt. (HU) | 1998-04-16 | — | — | WO | disclosed |