Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 3/20 | 0.49 |
| ▸ | CCND1 | P24385 | 3/20 | 0.49 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 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 | |
|---|---|---|---|---|
| SCHEMBL9836159 | 1.00 | CDK4 (0.49) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL5597152 | 0.84 | ALDH1A1 (0.52) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL16339283 | 0.80 | ALDH1A1 (0.73) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL566438 | 0.79 | CDK4 (0.61) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL566437 | 0.79 | CDK4 (0.61) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL27722639 | 0.76 | CDK4 (0.71) | CDK4CCND1CCNB2CDK1CCNB1 | |
| SCHEMBL10509104 | 0.76 | LIG1 (0.53) | HPGDALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL29690311 | 0.73 | ALDH1A1 (0.68) | HPGDSMN1; SMN2ALDH1A1HTTTSHR | |
| SCHEMBL1482988 | 0.73 | ALDH1A1 (0.68) | HPGDSMN1; SMN2ALDH1A1HTTTSHR | |
| SCHEMBL5510457 | 0.72 | NFE2L2 (0.60) | ALDH1A1MAPK1CTSLMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161218-B1 | BENZO-(PYRANO AND THIOPYRANO)PYRIDINES | CIBA-GEIGY AG (CH) | 1991-06-26 | — | — | EP | disclosed |
| US-4721787-A | CONDENSATION, REDUCTION, DEHYDRATION | CIBA-GEIGY CORPORATION (US) | 1988-01-26 | — | — | US | disclosed |
| US-4604397-A | Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents | CIBA-GEIGY CORPORATION (US) | 1986-08-05 | — | — | US | disclosed |
| EP-0161218-A2 | Benzo-(pyrano and thiopyrano)pyridines | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |