Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL9902786 | 1.00 | IDO1 (0.46) | IDO1TDO2SLC6A2SLC6A4TAAR1 | |
| Hydrochloric Acid SCHEMBL3722983 | 0.98 | IDO1 (0.49) | IDO1TDO2SLC6A2SLC6A4TAAR1 | |
| SCHEMBL11084543 | 0.86 | TAAR1 (0.47) | IDO1TDO2SLC6A2SLC6A4TAAR1 | |
| SCHEMBL3542231 | 0.84 | TAAR1 (0.46) | TAAR1 | |
| SCHEMBL31211651 | 0.83 | IDO1 (0.46) | IDO1TDO2SLC6A2SLC6A4TAAR1 | |
| SCHEMBL27787892 | 0.83 | IDO1 (0.46) | IDO1TDO2SLC6A2SLC6A4TAAR1 | |
| SCHEMBL432890 | 0.82 | HDAC4 (0.44) | IDO1TDO2SLC6A2SLC6A4AOC3 | |
| SCHEMBL1730007 | 0.82 | AOC3 (0.46) | IDO1TDO2SLC6A2SLC6A4AOC3 | |
| SCHEMBL1464027 | 0.82 | HDAC4 (0.44) | IDO1TDO2SLC6A2SLC6A4AOC3 | |
| SCHEMBL1730261 | 0.82 | AOC3 (0.46) | IDO1TDO2SLC6A2SLC6A4AOC3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | claimed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | claimed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | claimed |
| EP-2462141-A1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | Merck Patent GmbH (DE) | 2012-06-13 | — | — | EP | claimed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | disclosed |
| WO-2007076423-A2 | INHIBITORS OF Akt ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |
| US-4129661-A | 4,5-Dihydro-2-lower alkoxycarbonylamino-4-phenylimidazoles and substituted phenyl derivatives thereof | SYNTEX (U.S.A.) INC. (US) | 1978-12-12 | — | — | 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-20120277228-A1 | Novel Azaheterocyclic Compounds | PCNA, MCL1, MYC | IDO1 4057/4885TDO2 4776/4885SLC6A2 4867/4885 |
“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.