Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | MLKL | Q8NB16 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6756155 | 0.85 | TAAR1 (0.56) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL15085764 | 0.84 | TAAR1 (0.55) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL6753938 | 0.83 | ALDH1A1 (0.60) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL1284420 | 0.81 | TAAR1 (0.59) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL24820635 | 0.81 | TAAR1 (0.52) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL2679996 | 0.81 | ALDH1A1 (0.55) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL294728 | 0.81 | TAAR1 (0.56) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL14029834 | 0.81 | TAAR1 (0.56) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL29405275 | 0.81 | ALDH1A1 (0.55) | IDO1TAAR1MLKLALDH1A1POLB | |
| SCHEMBL10696885 | 0.80 | ALDH1A1 (0.54) | IDO1TAAR1MLKLALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1235798-A4 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-04-23 | — | — | EP | disclosed |
| US-20030018038-A1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | MERCK & CO., INC. | 2003-01-23 | — | — | US | disclosed |
| US-6476041-B1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | MERCK & CO., INC. | 2002-11-05 | — | — | US | disclosed |
| EP-1235798-A1 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001032615-A1 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | 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-20030018038-A1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | GRIN1, GRIN2A, GRIN2B | IDO1 3772/4885TAAR1 349/4885MLKL 4071/4885 |
“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.