Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14239248 | 0.83 | HRH3 (0.41) | ALDH1A1TSHRHPGDUSP2GAA | |
| SCHEMBL14239249 | 0.80 | HCAR3 (0.39) | ALDH1A1TSHRHPGDPKMHCAR3 | |
| SCHEMBL11990167 | 0.80 | HCAR3 (0.39) | ALDH1A1TSHRHPGDUSP2GAA | |
| SCHEMBL12089777 | 0.80 | APP (0.38) | KCNH2GAAAPPLMNASMN1; SMN2 | |
| SCHEMBL11990206 | 0.79 | GBA1 (0.41) | KCNH2ALDH1A1TSHRHCAR3KMT2A | |
| SCHEMBL14238178 | 0.79 | HCAR3 (0.38) | ALDH1A1TSHRHPGDPKMHCAR3 | |
| SCHEMBL11990178 | 0.78 | TRPV1 (0.39) | ALDH1A1TSHRHPGDPKMHCAR3 | |
| SCHEMBL24784713 | 0.77 | APP (0.36) | KCNH2GAAAPP | |
| SCHEMBL4333553 | 0.77 | ADRB2 (0.39) | KCNH2GAAAPP | |
| SCHEMBL3266864 | 0.77 | ESR1 (0.43) | ALDH1A1TSHRHPGDUSP2GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120309963-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | 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-20120309963-A1 | 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | MAP3K5, CDK5, MAP4K2 | KCNH2 1723/4885ALDH1A1 3982/4885TSHR 3472/4885 |
“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.