Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL28170344 | 0.86 | ALDH1A1 (0.47) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL9721989 | 0.83 | — | — | |
| SCHEMBL27569647 | 0.82 | ALDH1A1 (0.47) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL27291248 | 0.82 | ALDH1A1 (0.63) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL1759348 | 0.82 | TSHR (0.51) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL28196087 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3 | |
| SCHEMBL120215 | 0.80 | — | — | |
| SCHEMBL10061648 | 0.80 | ALDH1A1 (0.48) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL6621581 | 0.79 | ALOX15 (0.43) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL25311841 | 0.79 | ALDH1A1 (0.56) | ALDH1A1USP2CYP3A4MAPTSMN1; SMN2 |
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-0348764-B1 | Alkane triol monoesters and process for their preparation | BASF AG (DE) | 1994-06-01 | — | — | EP | disclosed |
| EP-0348764-A2 | Alkane triol monoesters and process for their preparation | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | disclosed |