Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1908316 | 1.00 | ALDH1A1 (0.65) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL4813600 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL2987235 | 0.81 | HTT (0.53) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL3617440 | 0.79 | HTT (0.50) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL3617442 | 0.79 | HTT (0.50) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL7715181 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL5325708 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL8358191 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL7385780 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRHTTKMT2AMEN1 | |
| SCHEMBL7769347 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TSHRHTTKMT2AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666862-B2 | 2,4-Diphenyl-1-(hexamethylenimin-4-ylaminocarbonyl)dihydropyrrole derivatives that are useful for treating cancer | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7638549-B2 | Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropyrrolidin3-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide; antiproliferative and -carcinogenic agents | MERCK & CO. INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-20080199459-A1 | Mitotic Kinesin Inhibitors | MERCK SHARP & DOHME CORP. | 2008-08-21 | — | — | US | disclosed |
| US-7235580-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20060287302-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-12-21 | — | — | US | disclosed |
| US-20060100191-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-05-11 | — | — | 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 (3 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-20080199459-A1 | Mitotic Kinesin Inhibitors | KIF5B, KIF2C, KIF18B | ALDH1A1 2302/4885TSHR 4772/4885HTT 986/4885 |
| US-20060100191-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | ALDH1A1 2302/4885TSHR 4772/4885HTT 986/4885 |
| US-20060287302-A1 | Mitotic kinesin inhibitors | KIF5B, KIF2C, KIF18B | ALDH1A1 2302/4885TSHR 4772/4885HTT 986/4885 |
“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.