Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.40 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.38 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17122402 | 0.84 | ESR1 (0.39) | HSD17B1HSD17B2ESR1ESR2ALDH1A1 | |
| SCHEMBL23568684 | 0.84 | HSP90AA1 (0.41) | HSD17B1PTP4A3PTP4A2PTP4A1ESR1 | |
| SCHEMBL16546087 | 0.79 | ADORA1 (0.37) | ALDH1A1ADORA1GAAMEN1KMT2A | |
| SCHEMBL16546095 | 0.75 | — | — | |
| SCHEMBL16546089 | 0.74 | KDR (0.33) | ALDH1A1NPC1MAPT | |
| SCHEMBL17368871 | 0.73 | PTP4A3 (0.40) | HSD17B1PTP4A3PTP4A2PTP4A1HSD17B2 | |
| SCHEMBL12924272 | 0.73 | HSD17B1 (0.50) | HSD17B1PTP4A3PTP4A2PTP4A1HSD17B2 | |
| SCHEMBL12924306 | 0.73 | HSD17B1 (0.50) | HSD17B1PTP4A3PTP4A2PTP4A1HSD17B2 | |
| SCHEMBL16546096 | 0.72 | — | — | |
| SCHEMBL16546082 | 0.72 | NPC1 (0.32) | NPC1MAPTRAB9A |
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-9147843-B2 | Organic semiconductor material | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-09-29 | — | — | US | disclosed |
| US-9147843-B2 | Organic semiconductor material | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-09-29 | — | — | US | disclosed |
| US-20150065671-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-03-05 | — | — | US | disclosed |
| US-20150065671-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-03-05 | — | — | US | disclosed |