Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27427131 | 1.00 | TDP1 (0.33) | TDP1L3MBTL1AHRP2RX7HTR1A | |
| SCHEMBL8874724 | 0.85 | CYP19A1 (0.33) | TDP1L3MBTL1HTR1ASIGMAR1CYP19A1 | |
| SCHEMBL8873392 | 0.82 | CYP19A1 (0.40) | HTR1ACYP19A1HTR2C | |
| SCHEMBL27366970 | 0.77 | CYP19A1 (0.36) | TDP1L3MBTL1HTR1ACYP19A1 | |
| SCHEMBL23850520 | 0.70 | ALDH1A1 (0.35) | TDP1AHRHTR2CTAS1R3TAS1R1 | |
| SCHEMBL5952510 | 0.70 | NOS3 (0.38) | AHRHTR2C | |
| SCHEMBL7518026 | 0.70 | PDPK1 (0.38) | TDP1L3MBTL1AHRHTR1AHTR2C | |
| SCHEMBL8597617 | 0.69 | METAP1 (0.39) | HTR1ACYP19A1 | |
| SCHEMBL8597615 | 0.69 | METAP1 (0.39) | HTR1ACYP19A1 | |
| SCHEMBL8873801 | 0.69 | METAP1 (0.39) | HTR1ACYP19A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |
| CN-1105989-A | Tricyclic 1-aminoethylpyrrol derivative | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | CN | disclosed |
| EP-0657426-A2 | Tricyclic pyrrole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-06-14 | — | — | EP | disclosed |