Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 2/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29019144 | 0.79 | NPC1 (0.53) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL7270627 | 0.79 | PSMB1 (0.49) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL6445175 | 0.79 | PSMB1 (0.49) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL23978751 | 0.78 | NPC1 (0.51) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL23978669 | 0.78 | MEN1 (0.50) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL6447999 | 0.78 | PSMB1 (0.48) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL23686835 | 0.78 | NPC1 (0.62) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL967460 | 0.78 | NPC1 (0.62) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL14854909 | 0.76 | NPC1 (0.61) | NPC1RAB9AHPGDABCC1CA12 | |
| SCHEMBL12890606 | 0.76 | NPC1 (0.61) | NPC1RAB9AHPGDABCC1CA12 |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |