Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL26620702 | 0.80 | CYP2C19 (0.48) | TSHRCYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL8946012 | 0.73 | CYP2C19 (0.41) | TSHRCYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL26620700 | 0.72 | CYP3A4 (0.47) | TSHRCYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL11570961 | 0.72 | ALDH1A1 (0.49) | TSHRCYP2C19ALDH1A1LMNACYP3A4 | |
| SCHEMBL9424989 | 0.70 | KDM4E (0.44) | TSHRCYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL8121494 | 0.70 | ALDH1A1 (0.50) | TSHRCYP2C19ALDH1A1LMNACYP3A4 | |
| SCHEMBL27718450 | 0.70 | KCNA5 (0.47) | TSHRALDH1A1CYP1A2KDM4EKCNA5 | |
| SCHEMBL11655679 | 0.69 | ALDH1A1 (0.49) | TSHRCYP2C19ALDH1A1LMNACYP3A4 | |
| SCHEMBL10694579 | 0.69 | CYP1A2 (0.43) | TSHRCYP2C19ALDH1A1CYP1A2KDM4E | |
| SCHEMBL8005498 | 0.68 | ALDH1A1 (0.42) | TSHRCYP2C19ALDH1A1KDM4ELMNA |
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-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |