Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.40 |
| ▸ | RAF1 | P04049 | 4/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964174 | 0.91 | TACR1 (0.38) | PIN1SLC6A4MAPK14MAPK13MAPK12 | |
| SCHEMBL8963860 | 0.87 | PIN1 (0.43) | PIN1SLC6A4MAPK14TACR1MEN1 | |
| SCHEMBL8963679 | 0.87 | MEN1 (0.42) | PIN1SLC6A4MEN1TSHRKMT2A | |
| SCHEMBL8963787 | 0.85 | PIN1 (0.45) | PIN1SLC6A4MAPK14MAPK13MAPK12 | |
| SCHEMBL8963561 | 0.83 | SLC6A2 (0.47) | PIN1SLC6A4MAPK14MAPK13MAPK12 | |
| SCHEMBL8963467 | 0.82 | OPRD1 (0.41) | SLC6A4TACR1MEN1KMT2A | |
| SCHEMBL8963580 | 0.81 | PRMT5 (0.40) | SLC6A4TACR1MEN1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8963783 | 0.81 | PRMT5 (0.40) | SLC6A4TACR1MEN1CYP1A2CYP3A4 | |
| SCHEMBL8963650 | 0.80 | CHEK2 (0.40) | SLC6A4ALDH1A1MEN1KMT2A | |
| SCHEMBL8963979 | 0.80 | CYP2D6 (0.42) | PIN1SLC6A4ALDH1A1KDM4EMEN1 |
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-5514800-A | CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1996-05-07 | — | — | US | disclosed |