Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358955 | 0.96 | CYP1A2 (0.49) | CYP1A2CYP2D6ALDH1A1NPC1RAB9A | |
| SCHEMBL7350762 | 0.81 | HRH4 (0.52) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL7349951 | 0.75 | HRH4 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL13202414 | 0.72 | CYP1A2 (0.56) | CYP1A2CYP2D6ALDH1A1NPC1RAB9A | |
| SCHEMBL7356028 | 0.71 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPC1RAB9A | |
| SCHEMBL7348643 | 0.71 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPC1RAB9A | |
| SCHEMBL7753896 | 0.68 | CHRNB2 (0.50) | CYP1A2CYP2D6CHRNB2CHRNA4HTR3A | |
| SCHEMBL13659249 | 0.66 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1NPC1RAB9A | |
| SCHEMBL12932476 | 0.65 | HTR3A (0.64) | CHRNB2CHRNA4HTR3AHTR1AHTR2B | |
| SCHEMBL5237992 | 0.65 | ADRB1 (0.86) | CHRNB2CHRNA4HTR3AHTR1AHTR2B |
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-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | disclosed |