Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NCK1 | P16333 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3831108 | 0.93 | CYP2A6 (0.45) | CYP1A2CYP2A6MAP4K1TDP1FGFR1 | |
| SCHEMBL3831411 | 0.81 | CASP3 (0.50) | CYP1A2CYP2A6MAP4K1TDP1CASP3 | |
| SCHEMBL3831280 | 0.77 | ALDH1A1 (0.44) | MAP4K1CASP3SENP7ALDH1A1KDM4E | |
| SCHEMBL22431434 | 0.75 | CCR1 (0.65) | CYP2A6CCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL24756252 | 0.75 | CYP2A6 (0.46) | CYP1A2CYP2A6TDP1CASP3SENP7 | |
| SCHEMBL3826324 | 0.75 | L3MBTL1 (0.50) | CYP1A2CYP2A6MAP4K1TDP1CASP3 | |
| SCHEMBL24450787 | 0.74 | NOS3 (0.46) | CYP1A2CYP2A6MAP4K1FGFR1CCR1 | |
| SCHEMBL14505861 | 0.72 | NPC1 (0.58) | CYP1A2CYP2A6TDP1CASP3SENP7 | |
| SCHEMBL3831362 | 0.72 | NPC1 (0.51) | CYP1A2CYP2A6TDP1CASP3SENP7 | |
| SCHEMBL3826128 | 0.72 | CASP3 (0.72) | CYP1A2CYP2A6TDP1CASP3SENP8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099765-A2 | 5, 6, OR 7-SUBSTITUTED-3-(HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | Rexahn Pharmaceuticals, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008063548-A2 | 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | REXAHN PHARMACEUTICALS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |