Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5119865 | 0.94 | MEN1 (0.52) | ALDH1A1MEN1KMT2AESR1TNF | |
| SCHEMBL5814645 | 0.94 | ESR1 (0.46) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5809020 | 0.91 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5115035 | 0.90 | ESR1 (0.48) | MEN1KMT2AESR1PRKCITGFBR1 | |
| SCHEMBL5814517 | 0.86 | ESR1 (0.43) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5813871 | 0.85 | MEN1 (0.46) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7516802 | 0.85 | ALDH1A1 (0.56) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5118580 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL5120732 | 0.83 | ESR1 (0.53) | ESR1ROCK2ROCK1PRKCITGFBR1 | |
| SCHEMBL8179394 | 0.83 | MEN1 (0.48) | ALDH1A1SMN1; SMN2MEN1KMT2AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0920431-A1 | THIENOPYRIMIDINES | MERCK PATENT GmbH (DE) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998006722-A1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |