Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11549236 | 1.00 | CYP1A2 (0.33) | CYP1A2HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL11549243 | 1.00 | CYP1A2 (0.33) | CYP1A2HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL11551772 | 0.86 | ALDH1A1 (0.30) | SIGMAR1ALDH1A1LMNACHRM2HTR1A | |
| SCHEMBL11542981 | 0.79 | CYP1A2 (0.32) | CYP1A2HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL11620328 | 0.78 | CYP1A2 (0.38) | CYP1A2HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL11549892 | 0.75 | SIGMAR1 (0.46) | KCNH2SIGMAR1TP53ALDH1A1KMT2A | |
| SCHEMBL11549900 | 0.75 | SIGMAR1 (0.46) | KCNH2SIGMAR1TP53ALDH1A1KMT2A | |
| SCHEMBL11549897 | 0.75 | SIGMAR1 (0.46) | KCNH2SIGMAR1TP53ALDH1A1KMT2A | |
| SCHEMBL11544914 | 0.74 | HRH3 (0.35) | CYP1A2HRH3KCNH2CYP3A4CYP2C9 | |
| SCHEMBL11541251 | 0.71 | CYP1A2 (0.36) | CYP1A2SIGMAR1CHRM1 |
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-4156723-A | HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1979-05-29 | — | — | US | disclosed |