Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062459 | 0.80 | MAPK1 (0.51) | MAPK1MEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL27738898 | 0.78 | NR1H2 (0.57) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL27738889 | 0.78 | NR1H2 (0.57) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL2495889 | 0.76 | CYP3A4 (0.60) | MAPK1NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL28704785 | 0.76 | CYP3A4 (0.60) | MAPK1NR1H2NR1H3MEN1KMT2A | |
| SCHEMBL4068506 | 0.74 | NR1H2 (0.46) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL4976100 | 0.74 | NR1H2 (0.46) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL18642718 | 0.73 | NR1H2 (0.53) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL16004573 | 0.73 | NR1H2 (0.53) | NR1H2NR1H3RORCTSHRALOX15 | |
| SCHEMBL28815574 | 0.73 | NR1H2 (0.53) | NR1H2NR1H3RORCTSHRALOX15 |
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-20060105997-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060105997-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | MAPK1 1272/4885NR1H2 2816/4885NR1H3 2820/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.