Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404557 | 0.77 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4064172 | 0.77 | ALDH1A1 (0.44) | CYP1A2ALDH1A1HPGDHSD17B10NCOA3 | |
| SCHEMBL13765864 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL19663002 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL19953988 | 0.72 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL2203417 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4062748 | 0.69 | HTT (0.44) | CYP1A2CYP11B1CYP11B2 | |
| SCHEMBL19660435 | 0.69 | CYP2A6 (0.44) | CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL19660419 | 0.69 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1MAPTCYP11B1 | |
| SCHEMBL19660438 | 0.69 | CYP2A6 (0.44) | CYP1A2CYP2A6ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. | 2009-07-09 | — | — | 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-20090176781-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | CYP1A2 32/4885CYP2A6 61/4885ALDH1A1 148/4885 |
“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.