Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27716629 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TAAR1TDP1SLC6A2SLC6A4 | |
| Biphenyl SCHEMBL29268822 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TAAR1TDP1SLC6A2SLC6A4 | |
| SCHEMBL448510 | 0.95 | ALDH1A1 (0.44) | ALDH1A1TDP1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL447031 | 0.95 | ALDH1A1 (0.44) | ALDH1A1TDP1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL139458 | 0.95 | ALDH1A1 (0.44) | ALDH1A1TDP1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL27482920 | 0.92 | CHRNB4 (0.43) | ALDH1A1TDP1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27907573 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TAAR1TDP1MAPK1CYP1A2 | |
| SCHEMBL42579 | 0.92 | ALDH1A1 (0.47) | ALDH1A1TAAR1HTTMAPK1NPC1 | |
| SCHEMBL352236 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TAAR1TDP1LMNAHTT | |
| SCHEMBL16393987 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TAAR1TDP1MAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1323294-A | Cyclic ester or amide derivatives | GPINIL HOLDINGS INC (US) | 2001-11-21 | — | — | CN | claimed |
| US-5508273-A | ARALKYLPHOSPHONATES FOR OSTEOPOROSIS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |