Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.40 |
| ▸ | PIK3R2 | O00459 | 4/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201258 | 0.90 | ALDH1A1 (0.42) | ALDH1A1DRD2DRD3RAB9ATSHR | |
| SCHEMBL2201674 | 0.89 | DRD3 (0.40) | ALDH1A1DRD2DRD3RAB9ATSHR | |
| SCHEMBL2202072 | 0.88 | DRD2 (0.46) | ALDH1A1DRD2DRD3PKMRAB9A | |
| SCHEMBL2200712 | 0.87 | GRIN2B (0.44) | ALDH1A1DRD2DRD3RAB9ATSHR | |
| SCHEMBL2197343 | 0.79 | EIF4E (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL2201254 | 0.78 | ALDH1A1 (0.41) | ALDH1A1DRD2DRD3RAB9ATSHR | |
| SCHEMBL2199010 | 0.78 | KDM4E (0.45) | ALDH1A1RAB9ANPC1TSHRSMN1; SMN2 | |
| SCHEMBL2203144 | 0.78 | MAPT (0.50) | ALDH1A1RAB9ANPC1TSHRSMN1; SMN2 | |
| SCHEMBL3689666 | 0.77 | POLR1A (0.41) | ALDH1A1PKMRAB9ANPC1TSHR | |
| SCHEMBL2201671 | 0.77 | DRD3 (0.39) | ALDH1A1DRD2DRD3RAB9ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7977358-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| EP-2182953-A2 | NEW PYRAZOL DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-05-12 | — | — | EP | disclosed |
| US-20090029963-A1 | PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | US | disclosed |
| WO-2009013211-A2 | NEW PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | WO | 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-20090029963-A1 | PYRAZOL DERIVATIVES | CCR1, CCR3, CCRL2 | ALDH1A1 1476/4885DRD2 1088/4885DRD3 751/4885 |
“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.