Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24656022 | 0.78 | NPC1 (0.49) | ALDH1A1TSHRGABRA5NPC1KDM4E | |
| SCHEMBL195456 | 0.77 | PTGS2 (0.58) | ALDH1A1TSHRPKMSMN1; SMN2GAA | |
| SCHEMBL285616 | 0.76 | GABRA5 (0.46) | GABRA5 | |
| SCHEMBL3724318 | 0.75 | PTGS1 (0.57) | ALDH1A1L3MBTL1LMNAKMT2AHTT | |
| SCHEMBL12543755 | 0.74 | GABRA5 (0.54) | ALDH1A1TSHRGABRA5KDM4ESMN1; SMN2 | |
| SCHEMBL30684510 | 0.74 | GABRA5 (0.54) | ALDH1A1TSHRGABRA5KDM4ESMN1; SMN2 | |
| SCHEMBL470207 | 0.73 | GPBAR1 (0.48) | ALDH1A1TSHRNPC1KDM4ERAB9A | |
| SCHEMBL6096442 | 0.72 | MAPK1 (0.43) | ALDH1A1GABRA5NPC1KDM4ERAB9A | |
| SCHEMBL300046 | 0.72 | GABRA5 (0.52) | ALDH1A1TSHRGABRA5NPC1KDM4E | |
| SCHEMBL286093 | 0.72 | GABRA5 (0.55) | ALDH1A1TSHRGABRA5NPC1KDM4E |
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-8163728-B2 | Pyrazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2427455-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127975-A1 | ISOXAZOLE-PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286115-A1 | PYRAZOLES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | 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 (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-20100286115-A1 | PYRAZOLES | GABRA5, GABRA1, GABRA3 | ALDH1A1 724/4885TSHR 1785/4885GABRA5 1/4885 |
“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.