Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31501114 | 0.77 | HTT (0.47) | ATMTSHRCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9631917 | 0.75 | HTT (0.40) | OPRM1OPRL1ATMSLC6A2SLC6A4 | |
| SCHEMBL21512759 | 0.75 | SLC6A2 (0.42) | OPRM1OPRL1ATMSLC6A2SLC6A4 | |
| SCHEMBL29970107 | 0.75 | SLC6A2 (0.42) | OPRM1OPRL1ATMSLC6A2SLC6A4 | |
| SCHEMBL29969746 | 0.74 | SLC6A2 (0.41) | OPRM1OPRL1SLC6A2SLC6A4TSHR | |
| SCHEMBL21513708 | 0.74 | SLC6A2 (0.41) | OPRM1OPRL1SLC6A2SLC6A4TSHR | |
| SCHEMBL9631688 | 0.73 | ALDH1A1 (0.42) | SLC6A2SLC6A4CYP2C19CYP1A2KMT2A | |
| SCHEMBL10513399 | 0.70 | HTT (0.36) | OPRM1OPRL1ATMSLC6A2SLC6A4 | |
| SCHEMBL9633035 | 0.70 | CYP1A2 (0.39) | ATMSLC6A2SLC6A4TSHRCYP2C19 | |
| SCHEMBL9633752 | 0.70 | KMT2A (0.48) | OPRM1OPRL1TSHRCYP2C19KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |