Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETDB1 | Q15047 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14204990 | 0.90 | SETDB1 (0.59) | SETDB1MTNR1AMTNR1BNPSR1NQO2 | |
| SCHEMBL21051098 | 0.89 | HTT (0.50) | SETDB1MTNR1AMTNR1BNPSR1HTT | |
| SCHEMBL14651452 | 0.88 | SETDB1 (0.54) | SETDB1MTNR1AMTNR1BNPSR1HTT | |
| SCHEMBL8229644 | 0.85 | MTNR1A (0.65) | MTNR1AMTNR1BNQO2KMT2A | |
| SCHEMBL10781973 | 0.85 | SETDB1 (0.51) | SETDB1MTNR1AMTNR1BNPSR1NQO2 | |
| SCHEMBL28696003 | 0.84 | KCNA5 (0.46) | MTNR1AMTNR1BHTTALDH1A1HPGD | |
| SCHEMBL29675775 | 0.82 | SETDB1 (0.53) | SETDB1MTNR1AMTNR1BNPSR1NQO2 | |
| SCHEMBL10781979 | 0.81 | SETDB1 (0.49) | SETDB1MTNR1AMTNR1BNPSR1NQO2 | |
| SCHEMBL14067342 | 0.81 | SETDB1 (0.49) | SETDB1MTNR1AMTNR1BNPSR1HTT | |
| SCHEMBL17123628 | 0.81 | SETDB1 (0.51) | SETDB1MTNR1AMTNR1BNPSR1NQO2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013086200-A1 | COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS | RESEARCH TRIANGLE INSTITUTE (US) | 2013-06-13 | — | — | WO | disclosed |