Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL1000357 | 0.86 | MAPK1 (0.54) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL1003197 | 0.81 | MAPK1 (0.56) | ALDH1A1TSHRMDM2L3MBTL1KDM4E | |
| SCHEMBL17281354 | 0.74 | ALDH1A1 (0.63) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL2356584 | 0.73 | NPC1 (0.43) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL1004606 | 0.73 | NPC1 (0.48) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL27839079 | 0.73 | RAB9A (0.45) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL16352856 | 0.72 | ALDH1A1 (0.60) | ALDH1A1TSHRMDM2ATMNPC1 | |
| SCHEMBL15746272 | 0.72 | ALDH1A1 (0.64) | ALDH1A1TSHRMDM2ATML3MBTL1 | |
| SCHEMBL17212624 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRMDM2ATMKDM4E | |
| SCHEMBL15159436 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRMDM2ATML3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130030000-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS | MERCK SHARP & DOHME CORP. | 2013-01-31 | — | — | US | disclosed |
| EP-2528603-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS | Merck Sharp & Dohme Corp. (US) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011094209-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS | MERCK SHARP & DOHME CORP. (US) | 2011-08-04 | — | — | WO | 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-20130030000-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS | FAAH, FAAH2, CNR2 | ALDH1A1 1422/4885TSHR 4137/4885MDM2 2353/4885 |
“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.