Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL720835 | 0.86 | CYP2A6 (0.44) | CYP2A6CYP17A1ROCK1CYP2E1CYP3A4 | |
| SCHEMBL17341871 | 0.76 | ACHE (0.38) | CYP2A6ACHEROCK1CYP3A4CYP2C9 | |
| SCHEMBL157274 | 0.74 | TUBB4A (0.48) | CYP2A6ROCK1KDM4EALDH1A1GAA | |
| SCHEMBL23478499 | 0.70 | ACHE (0.34) | CYP2A6ACHEROCK1CYP2E1CYP3A4 | |
| SCHEMBL23479788 | 0.70 | ACHE (0.34) | CYP2A6ACHEROCK1 | |
| SCHEMBL2176216 | 0.70 | LIMK1 (0.45) | CYP2A6ROCK1CYP3A4CYP2C19KDM4E | |
| SCHEMBL11884982 | 0.70 | CYP2A6 (0.42) | CYP2A6ACHEROCK1 | |
| SCHEMBL1253254 | 0.69 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL4655134 | 0.69 | CYP2A6 (0.47) | CYP2A6CYP17A1ERN1HPGD | |
| SCHEMBL31750714 | 0.69 | TBXAS1 (0.36) | CYP2A6ACHEROCK1CYP3A4KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-25 | — | — | US | disclosed |
| US-20120053173-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-01 | — | — | US | disclosed |
| US-20110046157-A1 | Substituted hydroxamic acids and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-02-24 | — | — | US | disclosed |
| EP-2251326-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-11-17 | — | — | EP | 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 (3 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-20120053173-A1 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2A6 573/4885ACHE 1686/4885CYP17A1 370/4885 |
| US-20120270865-A2 | HETEROCYCLIC COMPOUND | SLC5A2, SLC5A1, IAPP | CYP2A6 573/4885ACHE 1686/4885CYP17A1 370/4885 |
| US-20110046157-A1 | Substituted hydroxamic acids and uses thereof | HDAC6, HDAC5, HDAC1 | CYP2A6 1442/4885ACHE 3439/4885CYP17A1 965/4885 |
“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.