Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nalbuphine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 11/20 | 1.00 |
| ▸ | OPRK1 known ✓ | P41145 | 10/20 | 1.00 |
| ▸ | OPRD1 known ✓ | P41143 | 9/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | PKM | P14618 | 1/20 | 1.00 |
| ▸ | THPO | P40225 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Nalbuphine SCHEMBL6123677 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL12646324 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL722708 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL13906700 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL12588894 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL13906701 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL19767567 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL18458094 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL21090866 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 | |
| Nalbuphine SCHEMBL12566029 | 1.00 | OPRM1 (1.00) | OPRM1OPRK1OPRD1LMNACYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3532061-A1 | TREATMENT OF PRURIGO NODULARIS | Trevi Therapeutics, Inc. (US) | 2019-09-04 | — | — | EP | disclosed |
| EP-3432871-A1 | TREATMENT OF UREMIC PRURITUS | Trevi Therapeutics, Inc. (US) | 2019-01-30 | — | — | EP | disclosed |
| WO-2018081273-A1 | TREATMENT OF PRURIGO NODULARIS | Trevi Therapeutics, Inc. (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2017165409-A1 | TREATMENT OF UREMIC PRURITUS | Trevi Therapeutics, Inc. (US) | 2017-09-28 | — | — | WO | disclosed |