Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30485051 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MAOBMAOACYP19A1CA2 | |
| SCHEMBL9321479 | 0.85 | TSHR (0.45) | ALDH1A1CYP19A1TSHRTDP1 | |
| SCHEMBL12209752 | 0.85 | CYP19A1 (0.51) | ALDH1A1MAOBMAOACYP19A1 | |
| SCHEMBL11299795 | 0.80 | LOXL2 (0.48) | ALDH1A1CA2CA1CA9CYP3A4 | |
| SCHEMBL3027821 | 0.76 | TAAR1 (0.47) | ALDH1A1MAOBMAOA | |
| SCHEMBL2677183 | 0.76 | TSHR (0.67) | ALDH1A1TSHRTDP1ALOX15 | |
| SCHEMBL1015453 | 0.76 | ACHE (0.52) | ALDH1A1MAOBMAOATSHR | |
| SCHEMBL361013 | 0.76 | TAAR1 (0.47) | ALDH1A1MAOBMAOATDP1 | |
| SCHEMBL3026505 | 0.76 | ALDH1A1 (0.52) | ALDH1A1MAOBMAOACYP3A4RECQL | |
| SCHEMBL11794430 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAOBMAOACYP19A1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0058296-B1 | METHOD OF CONTROLLING BATCHWISE CONDUCTED DIAZOTIZATION REACTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-03-27 | — | — | EP | claimed |
| EP-3705477-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3216787-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-1224169-A2 | PRODUCTION OF 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027080-A2 | 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-04-19 | — | — | WO | disclosed |