Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24528855 | 0.77 | ALDH1A1 (0.42) | ALDH1A1RAB9AMEN1KMT2ACYP2D6 | |
| SCHEMBL27364974 | 0.76 | CYP3A4 (0.41) | KMT2ACYP2D6GAA | |
| SCHEMBL855255 | 0.75 | LOXL2 (0.41) | KMT2ACYP2D6KDM4ESMN1; SMN2 | |
| SCHEMBL3643384 | 0.75 | PPARG (0.41) | KMT2ACYP2D6 | |
| SCHEMBL2238595 | 0.75 | ALDH1A1 (0.47) | ALDH1A1RAB9AMEN1KMT2ACYP2D6 | |
| SCHEMBL7390364 | 0.75 | GPR119 (0.49) | MEN1KMT2ACYP2D6ACHEBCHE | |
| Ammonia Solution, Strong SCHEMBL23885016 | 0.74 | LOXL2 (0.40) | KMT2ACYP2D6KDM4ESMN1; SMN2 | |
| SCHEMBL14846603 | 0.74 | KCNA3 (0.48) | ALDH1A1MEN1KMT2A | |
| SCHEMBL14924016 | 0.73 | HRH3 (0.57) | ALDH1A1RAB9AMEN1KMT2ACYP2D6 | |
| SCHEMBL27684633 | 0.73 | GPR119 (0.46) | ALDH1A1RAB9ANPC1SMN1; SMN2HTT |
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-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |