Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL4067475 | 0.94 | CYP3A4 (0.32) | TSHRCYP3A4TP53 | |
| SCHEMBL27631424 | 0.92 | CYP3A4 (0.31) | TSHRCYP3A4TP53 | |
| SCHEMBL14701096 | 0.84 | CCR2 (0.34) | TSHRCYP3A4TP53ALDH1A1TDP1 | |
| SCHEMBL9844828 | 0.79 | CCR2 (0.32) | TP53SMN1; SMN2KMT2AHTR2AHTR2C | |
| SCHEMBL6422615 | 0.78 | TP53 (0.48) | TSHRCYP3A4TP53ALDH1A1TDP1 | |
| SCHEMBL5182959 | 0.78 | CA3 (0.42) | ALDH1A1TDP1CYP2A6CYP1A2 | |
| Hydrochloric Acid SCHEMBL9488013 | 0.76 | TP53 (0.46) | TSHRCYP3A4TP53ALDH1A1TDP1 | |
| SCHEMBL12190382 | 0.76 | TP53 (0.35) | TSHRCYP3A4TP53ALDH1A1TDP1 | |
| SCHEMBL30739512 | 0.76 | TP53 (0.41) | TSHRCYP3A4TP53ALDH1A1TDP1 | |
| SCHEMBL9745484 | 0.76 | TP53 (0.41) | TSHRCYP3A4TP53ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1991013847-A1 | PROCESS FOR PREPARING CHLORO-DIFLUOROBENZENE | ISC CHEMICALS LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |
| EP-0447259-A1 | Process for preparing chloro-difluorobenzene | ISC CHEMICALS LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |