Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4500495 | 0.83 | MGLL (0.60) | ALDH1A1CHRNA7OPRM1OPRK1OPRL1 | |
| SCHEMBL4523787 | 0.80 | MGLL (0.58) | ALDH1A1CHRNA7OPRM1OPRK1OPRL1 | |
| SCHEMBL8202651 | 0.78 | MGLL (0.56) | ALDH1A1CHRNA7OPRM1OPRK1OPRL1 | |
| SCHEMBL8202659 | 0.78 | MGLL (0.56) | ALDH1A1CHRNA7OPRM1OPRK1OPRL1 | |
| SCHEMBL19570328 | 0.77 | TAAR1 (0.52) | ALDH1A1CHRNA7OPRM1OPRK1OPRL1 | |
| SCHEMBL20137193 | 0.76 | CHRNA7 (0.80) | CHRNA7OPRM1OPRK1OPRL1HTR2C | |
| SCHEMBL5899579 | 0.76 | CHRNA7 (0.80) | CHRNA7OPRM1OPRK1OPRL1HTR2C | |
| SCHEMBL15111464 | 0.75 | CHRNA7 (0.46) | CHRNA7OPRM1OPRK1OPRL1HTR2C | |
| SCHEMBL9737757 | 0.75 | CHRNA7 (0.77) | CHRNA7OPRM1OPRK1OPRL1HTR2C | |
| SCHEMBL21307175 | 0.75 | HTR2C (0.60) | ALDH1A1OPRM1OPRK1OPRL1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-6358945-B1 | CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2002-03-19 | — | — | US | claimed |