Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MARS1 | P56192 | 2/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL28299534 | 0.89 | NPC1 (0.52) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL28299561 | 0.85 | NPC1 (0.49) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL28301090 | 0.83 | TUBB4A (0.49) | NPC1RAB9APTGS2ADORA2AADORA1 | |
| SCHEMBL28299665 | 0.83 | NPC1 (0.55) | NPC1RAB9AESR2ALDH1A1PTGS2 | |
| SCHEMBL28847563 | 0.81 | NPC1 (0.44) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL29707615 | 0.79 | NPC1 (0.63) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL3676529 | 0.79 | NPC1 (0.63) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL28299743 | 0.76 | RAB9A (0.53) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL28299787 | 0.74 | NPC1 (0.47) | NPC1RAB9AALDH1A1PTGS2HPGD | |
| SCHEMBL12361456 | 0.71 | RXRA (0.52) | NPC1RAB9AALDH1A1PTGS2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-109890822-A | INHIBITORS OF CELLULAR METABOLIC PROCESSES | 安吉奥斯医药品有限公司 | 2019-06-14 | — | — | CN | disclosed |