Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.57 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22254447 | 0.83 | ALDH1A1 (0.53) | SIGMAR1ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL1290790 | 0.83 | OPRL1 (0.58) | CYP3A4HSD17B10SIGMAR1OPRL1KDM1A | |
| SCHEMBL3334062 | 0.82 | SIGMAR1 (0.61) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL2918565 | 0.82 | SIGMAR1 (0.65) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL20664058 | 0.82 | KDM1A (0.57) | KDM1ATSHRALDH1A1MEN1KMT2A | |
| SCHEMBL1586461 | 0.81 | CYP3A4 (0.59) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL25542044 | 0.80 | KCNH2 (0.54) | SIGMAR1OPRL1ALDH1A1MEN1KMT2A | |
| SCHEMBL1314774 | 0.79 | OPRL1 (0.63) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL14716284 | 0.79 | CYP3A4 (0.57) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL4519530 | 0.79 | CYP3A4 (0.57) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR |
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-1390034-A4 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2005-07-13 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |