Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | IGF1R | P08069 | 2/20 | 0.50 |
| ▸ | FLT4 | P35916 | 2/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | EDNRB | P24530 | 2/20 | 0.45 |
| ▸ | EDNRA | P25101 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | PRKX | P51817 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28074607 | 0.94 | EGFR (0.50) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL28074596 | 0.92 | AKR1C3 (0.54) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL28074399 | 0.91 | HDAC6 (0.49) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL7662475 | 0.86 | EGFR (0.49) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL28074421 | 0.86 | AKR1C3 (0.61) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL28495133 | 0.85 | EDNRB (0.45) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL28503511 | 0.82 | HDAC6 (0.44) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL11836056 | 0.80 | AKR1C3 (0.64) | S1PR5EGFRIGF1RFLT4KDR | |
| SCHEMBL9458829 | 0.79 | ALOX5AP (0.59) | PTGS1 | |
| SCHEMBL28500992 | 0.79 | AKR1C3 (0.74) | S1PR5EGFRIGF1RFLT4KDR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646330-B | Aromatic heterocyclic derivative and application thereof in medicine | 贵州医科大学 | 2020-12-11 | — | — | CN | claimed |
| CN-105646330-A | Heteroaromatic ring derivative and application thereof in drug | 贵州医科大学 | 2016-06-08 | — | — | CN | claimed |
| CN-105646330-B | Aromatic heterocyclic derivative and application thereof in medicine | 贵州医科大学 | 2020-12-11 | — | — | CN | disclosed |
| CN-105646330-A | Heteroaromatic ring derivative and application thereof in drug | 贵州医科大学 | 2016-06-08 | — | — | CN | disclosed |