Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL14609835 | 0.82 | SLC6A4 (0.36) | HTR2AHTR2CSLC6A4HTR2BALDH1A1 | |
| SCHEMBL14273762 | 0.76 | CA3 (0.42) | ALDH1A1KDM4ELMNAMAPTMPI | |
| SCHEMBL11709281 | 0.76 | TP53 (0.48) | ALDH1A1LMNAMAPTCYP1A2CYP2A6 | |
| SCHEMBL16502301 | 0.73 | ACHE (0.35) | ALDH1A1LMNAMAPTCA3CA6 | |
| SCHEMBL4191737 | 0.72 | MIF (0.34) | SLC6A4HTR2BALDH1A1CYP1A2 | |
| SCHEMBL7922001 | 0.72 | TDP1 (0.47) | ALDH1A1 | |
| SCHEMBL24456244 | 0.71 | NOS1 (0.48) | — | |
| SCHEMBL29490721 | 0.69 | — | — | |
| SCHEMBL529658 | 0.69 | — | — | |
| SCHEMBL28489414 | 0.68 | PKM (0.34) | ALDH1A1CA3CA6CA5ACA9 |
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-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 |
| US-7329762-B2 | Prodrugs of mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2008-02-12 | — | — | US | disclosed |