Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.65 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.65 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17599154 | 0.98 | TGFBR1 (0.63) | TGFBR1MAPK14GRM4CYP1A2NPC1 | |
| SCHEMBL23954135 | 0.81 | TGFBR1 (0.53) | TGFBR1MAPK14GRM4CYP1A2NPC1 | |
| SCHEMBL373340 | 0.80 | TGFBR1 (0.58) | TGFBR1MAPK14GRM4NPC1RAB9A | |
| SCHEMBL29699887 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14GRM4CYP1A2NPC1 | |
| SCHEMBL9927346 | 0.78 | LTA4H (0.47) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL27917128 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14GRM4CYP1A2NPC1 | |
| SCHEMBL29945128 | 0.78 | LTA4H (0.47) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL1227713 | 0.78 | CYP1A2 (0.60) | TGFBR1MAPK14GRM4CYP1A2NPC1 | |
| SCHEMBL3358739 | 0.78 | TOP2A (0.59) | TGFBR1MAPK14NPC1ALDH1A1HPGD | |
| SCHEMBL28055840 | 0.78 | TGFBR1 (0.47) | TGFBR1MAPK14GRM4NPC1RAB9A |
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-6063956-A | APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED | ROHM AND HAAS COMPANY (US) | 2000-05-16 | — | — | US | disclosed |