Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAPDH | P04406 | 2/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7652482 | 0.89 | CHEK2 (0.47) | ALDH1A1MAPK1HPGDKDM4EGAPDH | |
| SCHEMBL7657293 | 0.85 | UCHL1 (0.46) | KMT2AMEN1GAPDHGABRA1GABRB2 | |
| SCHEMBL7663316 | 0.85 | GABRA1 (0.45) | HPGDGAPDHGABRA1GABRB2ADORA3 | |
| SCHEMBL7656276 | 0.84 | P2RY14 (0.46) | — | |
| SCHEMBL7656725 | 0.84 | NR4A2 (0.45) | ALDH1A1HPGDKDM4EKMT2A | |
| SCHEMBL7659381 | 0.84 | KDM4E (0.49) | ALDH1A1MAPK1HPGDKDM4ETP53 | |
| SCHEMBL7656847 | 0.82 | AURKA (0.46) | ALDH1A1MAPK1TP53 | |
| SCHEMBL7650593 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPK1SRD5A2HPGDKDM4E | |
| SCHEMBL7658200 | 0.79 | MCL1 (0.47) | ALDH1A1MAPK1HPGDKDM4ECTNNB1 | |
| SCHEMBL7652504 | 0.77 | RAB9A (0.54) | ALDH1A1HPGDKDM4ETP53KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6340704-B1 | TREATING NERVE DISEASE OR BONE/JOINT DISEASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-0975621-A1 | CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998049155-A1 | CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-05 | — | — | WO | disclosed |