Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL791561 | 0.98 | HRH3 (0.61) | HRH3SLC6A3SIGMAR1TDP1CYP2D6 | |
| SCHEMBL7983264 | 0.89 | CYP2D6 (0.57) | HRH3SLC6A3SIGMAR1TDP1CYP2D6 | |
| SCHEMBL791288 | 0.87 | CYP2D6 (0.55) | HRH3SIGMAR1TDP1CYP2D6CYP2C19 | |
| SCHEMBL12226961 | 0.84 | CYP2A13 (0.70) | SIGMAR1KCNH2KMT2ACYP2A13 | |
| SCHEMBL17828183 | 0.82 | ACHE (0.71) | HRH3SIGMAR1KCNH2 | |
| SCHEMBL11865007 | 0.82 | ACHE (0.49) | HRH3SIGMAR1KCNH2 | |
| SCHEMBL329437 | 0.80 | KMT2A (0.72) | TDP1CYP2C19ALDH1A1KMT2ACYP2A13 | |
| Hydrochloric Acid SCHEMBL31464068 | 0.79 | KCNH2 (0.49) | HRH3SIGMAR1KCNH2ALDH1A1KMT2A | |
| SCHEMBL1882777 | 0.78 | KMT2A (0.70) | TDP1CYP2C19ALDH1A1KMT2ACYP2A13 | |
| SCHEMBL1164984 | 0.78 | KMT2A (0.70) | TDP1CYP2C19ALDH1A1KMT2ACYP2A13 |
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-1995002567-A1 | CATALYTIC ASYMMETRIC REDUCTION OF TRISUBSTITUTED OLEFINS AND ENAMINES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1995-01-26 | — | — | WO | disclosed |