Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.48 |
| ▸ | HTR3A | P46098 | 4/20 | 0.48 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11575211 | 0.91 | HTR1A (0.42) | HTR1AHTR3ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11760425 | 0.88 | HTR1A (0.42) | HTR1AHTR3AAGBL2BLMSLC6A2 | |
| SCHEMBL11758024 | 0.87 | SLC6A4 (0.41) | HTR1AHTR3ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11760701 | 0.85 | HTR1A (0.47) | HTR1AHTR3ASLC6A4MAPTHPGD | |
| SCHEMBL11709008 | 0.85 | HTR1A (0.45) | HTR1AHTR3ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11763168 | 0.82 | CYP2A6 (0.42) | HTR1AHTR3AAGBL2SLC6A4MAPT | |
| SCHEMBL11757804 | 0.82 | AGBL2 (0.44) | HTR1AHTR3AAGBL2SLC6A2SLC6A4 | |
| SCHEMBL956490 | 0.80 | HTR1A (0.51) | HTR1AHTR3AAGBL2BLMSLC6A2 | |
| SCHEMBL11610674 | 0.80 | HTR1A (0.51) | HTR1AHTR3AAGBL2BLMSLC6A2 | |
| SCHEMBL11704946 | 0.79 | AGBL2 (0.43) | AGBL2SLC6A2SLC6A4MAPTHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4089861-A | NEUROLEPTIC AGENT | HOFFMANN-LA ROCHE, INC. (US) | 1978-05-16 | — | — | US | disclosed |
| US-4044010-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-08-23 | — | — | US | disclosed |
| US-4011222-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-03-08 | — | — | US | disclosed |
| US-3996229-A | DEPRESSANTS, NEUROLEPTICS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-07 | — | — | US | disclosed |
| US-3966737-A | NEUROLEPTIC | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |
| US-3954764-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-05-04 | — | — | US | disclosed |