Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6904267 | 0.96 | CYP1A2 (0.36) | BRS3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6895444 | 0.94 | CYP1A2 (0.34) | BRS3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6903067 | 0.90 | NPC1 (0.34) | BRS3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6902650 | 0.86 | RAB9A (0.39) | BRS3AGTR1HSD11B1NPC1MAPT | |
| Hydrochloric Acid SCHEMBL6901151 | 0.85 | CYP1A2 (0.38) | BRS3CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6903610 | 0.83 | PKM (0.40) | CYP1A2CYP2D6CYP2C9NPC1ALDH1A1 | |
| SCHEMBL6895367 | 0.83 | TGFBR1 (0.38) | CYP1A2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL6902056 | 0.82 | RAB9A (0.39) | BRS3HSD11B1NPC1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6904848 | 0.82 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6901820 | 0.81 | PKM (0.32) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1033371-B1 | Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-01-28 | — | — | EP | claimed |