Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.57 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11884449 | 0.81 | NISCH (0.80) | MAOAMAOBNISCHTAAR1CYP1A2 | |
| SCHEMBL7005260 | 0.79 | TAAR1 (0.58) | HTR1DTAAR1CYP1A2LMNAADRA2A | |
| SCHEMBL4041332 | 0.78 | MAOB (0.56) | MAOAMAOBNISCHHTR1DTAAR1 | |
| SCHEMBL4035129 | 0.78 | NISCH (0.56) | MAOAMAOBNISCHHTR1DTAAR1 | |
| Phenyzoline SCHEMBL3172677 | 0.73 | NISCH (1.00) | MAOAMAOBNISCHHTR1DTAAR1 | |
| SCHEMBL4032771 | 0.72 | MAOB (0.49) | MAOAMAOBNISCHHTR1DTAAR1 | |
| SCHEMBL10846015 | 0.71 | TAAR1 (0.72) | MAOAMAOBNISCHHTR1DTAAR1 | |
| SCHEMBL4033870 | 0.70 | NISCH (0.69) | MAOAMAOBNISCHHTR1DTAAR1 | |
| SCHEMBL3178397 | 0.70 | MAOA (0.69) | MAOAMAOBNISCHHTR1DTAAR1 | |
| Hydrochloric Acid SCHEMBL4711895 | 0.70 | MAOA (0.69) | MAOAMAOBNISCHHTR1DTAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |