Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.59 |
| ▸ | CASP1 | P29466 | 6/20 | 0.59 |
| ▸ | CASP7 | P55210 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.59 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10786959 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL6236262 | 0.79 | CYP1A2 (0.56) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL8503319 | 0.76 | KDM4E (0.71) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL8499783 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL708998 | 0.75 | NPC1 (1.00) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL31393433 | 0.75 | NPC1 (1.00) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL19066630 | 0.73 | NPC1 (0.96) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| Ammonia Solution, Strong SCHEMBL28220789 | 0.72 | NPC1 (0.93) | ALDH1A1HSD17B10CASP1CASP7NPC1 | |
| SCHEMBL4376713 | 0.72 | ADRA1D (0.40) | ALDH1A1HSD17B10CASP1CASP7KDM4E | |
| SCHEMBL8225185 | 0.72 | CYP1A2 (0.49) | ALDH1A1HSD17B10CASP1CASP7HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36256-E | ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| US-5795889-A | INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-08-18 | — | — | US | disclosed |
| US-5646153-A | INHIBITING ABNORMAL CELL PROLIFERATION | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1997-07-08 | — | — | US | disclosed |
| US-5480883-A | Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-01-02 | — | — | US | disclosed |