Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 3/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5121758 | 1.00 | ALDH1A1 (0.68) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL7270310 | 1.00 | ALDH1A1 (0.68) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL5710904 | 0.95 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL10977219 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL10974936 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL10974938 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL11896998 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL11981360 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL26359031 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTGAAHPGD | |
| SCHEMBL26359034 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTGAAHPGD |
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-6362331-B1 | PYRROLO(2,1-C)(1,4)BENZODIAZEPINE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-03-26 | — | — | US | disclosed |
| US-6225306-B1 | PYRROLO(1,2A)QUINOXALINES | WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) | 2001-05-01 | — | — | US | disclosed |
| EP-0987266-A1 | BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS | Wakamoto Pharmaceutical Co., Ltd. (JP) | 2000-03-22 | — | — | EP | disclosed |