Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440864 | 0.84 | HTR2A (0.36) | TP53TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL14273762 | 0.78 | CA3 (0.42) | TDP1L3MBTL1MAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11709281 | 0.78 | TP53 (0.48) | TP53TSHRCYP3A4TDP1CASP3 | |
| SCHEMBL13543520 | 0.76 | TP53 (0.35) | TP53TSHRCYP3A4TDP1CASP3 | |
| SCHEMBL6945799 | 0.74 | CASP3 (0.53) | TSHRCYP3A4TDP1CASP3SENP7 | |
| SCHEMBL12440436 | 0.73 | TP53 (0.48) | TP53TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL1021879 | 0.71 | HTR2B (0.34) | TP53CYP3A4TDP1CASP3SENP7 | |
| SCHEMBL1569005 | 0.71 | TDP1 (0.39) | TP53CYP3A4TDP1CASP3SENP7 | |
| SCHEMBL12166517 | 0.70 | HTR3E (0.54) | CYP3A4L3MBTL1MAPK1ALDH1A1LMNA | |
| SCHEMBL11984875 | 0.70 | ALDH1A1 (0.46) | TP53TSHRCYP3A4MAPK1HTR2A |
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-1515724-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-10-21 | — | — | EP | disclosed |
| US-7348440-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |