Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1078296 | 0.81 | PTGER1 (0.44) | KMT2APTGER1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL1078165 | 0.81 | PTGER1 (0.43) | CYP3A4PTGER1ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL1074513 | 0.80 | PTGER1 (0.44) | KMT2APTGER1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1076164 | 0.80 | ALDH1A1 (0.54) | KMT2AALDH1A1NPC1TSHR | |
| SCHEMBL6203784 | 0.79 | TDP1 (0.39) | KMT2APTGER1RAB9ANPC1HPGD | |
| SCHEMBL6199052 | 0.77 | HIF1A (0.42) | KMT2APTGER1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL1040002 | 0.72 | HCRTR2 (0.50) | KMT2APTGER1ALDH1A1MEN1 | |
| SCHEMBL6185927 | 0.69 | HPGD (0.43) | KMT2AALDH1A1SMN1; SMN2RAB9AHPGD | |
| SCHEMBL8337800 | 0.67 | PTGER1 (0.62) | KMT2APTGER1SMN1; SMN2TP53HPGD | |
| SCHEMBL1076948 | 0.66 | HCRTR1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1554239-B1 | SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-01-26 | — | — | EP | disclosed |
| EP-1554239-A2 | SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004033418-A2 | SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2004-04-22 | — | — | WO | disclosed |