Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ATM | Q13315 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL1279087 | 0.83 | NR1H2 (0.79) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL29493475 | 0.83 | NR1H2 (1.00) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL273351 | 0.83 | NR1H2 (1.00) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL4105203 | 0.82 | NR1H2 (0.48) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL545052 | 0.82 | NR1H2 (0.76) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL4933173 | 0.82 | NR1H2 (0.76) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL4937761 | 0.81 | NR1H2 (0.75) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL15688199 | 0.81 | NR1H2 (0.80) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL4931424 | 0.81 | NR1H2 (0.75) | NR1H2NPSR1KDM4EALDH1A1ATM | |
| SCHEMBL15598307 | 0.81 | NR1H2 (0.74) | NR1H2NPSR1KDM4EALDH1A1ATM |
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-9090561-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-8461167-B2 | Acetylenic heteroaryl compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-17 | — | — | 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 (2 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 | NR1H2 552/4885NPSR1 1366/4885KDM4E 3538/4885 |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | NR1H2 552/4885NPSR1 1366/4885KDM4E 3538/4885 |
“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.