Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7956473 | 0.85 | TSHR (0.56) | TSHRCYP2D6ALDH1A1KDM4EMAPK1 | |
| SCHEMBL17921473 | 0.80 | HTR1A (0.52) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL3435152 | 0.79 | ALDH1A1 (0.58) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL30462836 | 0.79 | ALDH1A1 (0.64) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL14216877 | 0.79 | ALDH1A1 (0.64) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| Hydrochloric Acid SCHEMBL5692430 | 0.78 | ALDH1A1 (0.63) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL6850758 | 0.77 | ALDH1A1 (0.58) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL16055755 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPK1LMNAKMT2A | |
| SCHEMBL25470949 | 0.75 | ALDH1A1 (0.56) | TSHRCYP2D6ALDH1A1KDM4EHTT | |
| SCHEMBL4122703 | 0.75 | KDM4E (0.64) | TSHRCYP2D6ALDH1A1KDM4EMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997037985-A1 | NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |