Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAP2 | P11137 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8548287 | 0.93 | GABRA1 (0.46) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8549511 | 0.87 | KDM4E (0.40) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8550354 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8547179 | 0.83 | GABRA1 (0.45) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8551983 | 0.82 | MTNR1A (0.50) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8548277 | 0.82 | GABRA1 (0.42) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8551159 | 0.82 | GABRA1 (0.42) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8547286 | 0.81 | GABRA1 (0.42) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8546583 | 0.81 | TUBB4A (0.45) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL8553124 | 0.80 | GABRA1 (0.43) | ALDH1A1KDM4EHPGDNPC1RAB9A |
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-0863898-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019077-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-05-29 | — | — | WO | disclosed |