Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | DHFR | P00374 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9690478 | 0.91 | TSHR (0.51) | KMT2ADHFRKDM4EALDH1A1TSHR | |
| SCHEMBL10672644 | 0.88 | TSHR (0.61) | DHFRTSHRGGPS1CYP2D6 | |
| SCHEMBL8291351 | 0.88 | TSHR (0.61) | DHFRTSHRGGPS1CYP2D6 | |
| SCHEMBL59488 | 0.85 | KDM4E (0.61) | KMT2ADHFRKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5745566 | 0.85 | CYP3A4 (0.55) | DHFRKDM4EALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL5248661 | 0.83 | PPARA (0.54) | KMT2ADHFRCYP2D6 | |
| SCHEMBL31361968 | 0.82 | ALDH1A1 (0.52) | KDM4EALDH1A1SMN1; SMN2GGPS1CYP2D6 | |
| 1,3-Dipropoxybenzene SCHEMBL73716 | 0.82 | KMT2A (0.63) | KMT2ADHFRKDM4ETSHRCYP3A4 | |
| SCHEMBL7074226 | 0.82 | KDM4E (0.60) | KMT2AKDM4ETSHRCYP2D6CYP2C9 | |
| SCHEMBL9505726 | 0.82 | ACACB (0.49) | KMT2AKDM4EALDH1A1SMN1; SMN2GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5686478-A | Endothelin antagonists | MERCK & CO. INC. (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1995003295-A1 | ENDOTHELIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-02-02 | — | — | WO | disclosed |