Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.65 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1908636 | 0.87 | TAAR1 (0.64) | SLC6A4SLC6A2SLC6A3HTR2ATAAR1 | |
| SCHEMBL1977918 | 0.86 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3HTR2ATAAR1 | |
| SCHEMBL1978757 | 0.85 | SLC6A2 (0.49) | SLC6A4SLC6A2SLC6A3HTR2ACNR1 | |
| SCHEMBL1980144 | 0.85 | TDP1 (0.56) | SLC6A4SLC6A2SLC6A3HTR2ATAAR1 | |
| SCHEMBL1978330 | 0.82 | ALDH1A1 (0.48) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11291944 | 0.82 | TAAR1 (0.53) | SLC6A4SLC6A2SLC6A3HTR2ATAAR1 | |
| SCHEMBL11990141 | 0.80 | SLC6A2 (0.49) | SLC6A4SLC6A2SLC6A3HTR2ACYP2D6 | |
| SCHEMBL17455448 | 0.79 | SLC6A2 (1.00) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL1898584 | 0.79 | SLC6A2 (1.00) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL1903873 | 0.79 | SLC6A2 (1.00) | SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160250187-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LTD (GB) | 2016-09-01 | — | — | US | disclosed |
| US-8691806-B2 | Pyrazole derivatives as protein kinase modulators | ASTEX THERAPEUTICS LIMITED (GB) | 2014-04-08 | — | — | US | disclosed |
| US-8541461-B2 | Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators | ASTEX THERAPEUTICS LIMITED (GB) | 2013-09-24 | — | — | US | disclosed |
| US-8541461-B2 | Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators | ASTEX THERAPEUTICS LIMITED (GB) | 2013-09-24 | — | — | US | disclosed |
| US-8343953-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2013-01-01 | — | — | US | disclosed |
| US-8343953-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2013-01-01 | — | — | US | disclosed |
| US-8247576-B2 | Pyrazole derivatives as protein kinase modulators | ASTEX THERAPEUTICS LIMITED (GB) | 2012-08-21 | — | — | US | disclosed |
| US-20110144080-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2011-06-16 | — | — | US | disclosed |
| US-20100166699-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-07-01 | — | — | US | disclosed |
| US-20100166699-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-07-01 | — | — | US | disclosed |
| US-20100130464-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-05-27 | — | — | US | disclosed |
| US-20100130464-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2010-05-27 | — | — | 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 (4 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-20110144080-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | GRK3, GRK2, NR0B2 | SLC6A4 4333/4885SLC6A2 4600/4885SLC6A3 3751/4885 |
| US-20100130464-A1 | PHARMACEUTICAL COMPOUNDS | GRK3, GRK4, GRK2 | SLC6A4 1890/4885SLC6A2 2087/4885SLC6A3 1450/4885 |
| US-20100166699-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | GRK3, ERBB3, NCOA3 | SLC6A4 4185/4885SLC6A2 4546/4885SLC6A3 3528/4885 |
| US-20160250187-A1 | PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | GRK3, GRK2, NR0B2 | SLC6A4 4440/4885SLC6A2 4587/4885SLC6A3 3932/4885 |
“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.