Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.30 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29349567 | 0.95 | NPC1 (0.41) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| SCHEMBL29241 | 0.95 | NPC1 (0.41) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| Bumetrizole SCHEMBL5194149 | 0.89 | NPC1 (0.48) | NPC1RAB9AHSP90AA1POLBKDM4E | |
| Pyrrole SCHEMBL28116614 | 0.88 | NPC1 (0.39) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| Toluene SCHEMBL29114789 | 0.87 | NPC1 (0.46) | NPC1RAB9AALOX5PTGS2POLB | |
| Bumetrizole SCHEMBL8250511 | 0.86 | NPC1 (0.54) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| SCHEMBL11668139 | 0.86 | NPC1 (0.43) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| SCHEMBL6855338 | 0.86 | NPC1 (0.38) | NPC1RAB9APOLBKDM4EMAPT | |
| SCHEMBL22372500 | 0.85 | NPC1 (0.44) | NPC1RAB9AALOX5PTGS2HSP90AA1 | |
| SCHEMBL31419499 | 0.85 | NPC1 (0.43) | NPC1RAB9APOLBKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20210317297-A1 | METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR | STRUCTO PTE LTD (SG) | 2021-10-14 | — | — | US | disclosed |