Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.47 |
| ▸ | DPP4 | P27487 | 5/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.46 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27943832 | 0.86 | HTR2A (0.55) | CACNA1BDPP4DPP7DPP9KCNH2 | |
| SCHEMBL21381650 | 0.86 | SLC6A3 (0.51) | SLC6A3CACNA1BDPP4DPP7DPP9 | |
| SCHEMBL7328218 | 0.84 | SLC6A3 (0.53) | SLC6A3CACNA1BDPP4DPP7DPP9 | |
| SCHEMBL7324264 | 0.82 | SLC6A3 (0.48) | SLC6A3CACNA1BDPP4DPP7DPP9 | |
| SCHEMBL9872541 | 0.79 | CYP2D6 (0.53) | CACNA1BKCNH2KMT2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL4480328 | 0.77 | KMT2A (0.59) | SLC6A3CACNA1BDPP4DPP7KMT2A | |
| SCHEMBL9872721 | 0.76 | CYP2D6 (0.47) | SLC6A3CACNA1BKCNH2CYP2D6 | |
| SCHEMBL29072978 | 0.76 | PARP10 (0.59) | MAPTHSD11B1 | |
| SCHEMBL26330812 | 0.76 | HSD11B1 (0.52) | MGLLMAPTHSD11B1KMT2A | |
| SCHEMBL26331459 | 0.74 | HSD11B1 (0.68) | MGLLMAPTHSD11B1 |
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-4032642-A | SEDATIVES, TRANQUILIZERS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-06-28 | — | — | US | disclosed |