Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PIR | O00625 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL8910719 | 0.92 | TACR1 (0.47) | TACR1TP53MAPTTHRBLMNA | |
| SCHEMBL8913330 | 0.90 | TACR1 (0.47) | TACR1 | |
| SCHEMBL8911344 | 0.76 | TACR1 (0.46) | TACR1LMNA | |
| SCHEMBL8911375 | 0.76 | TACR1 (0.46) | TACR1LMNA | |
| SCHEMBL8911790 | 0.73 | ALDH1A1 (0.44) | TACR1 | |
| SCHEMBL8911653 | 0.71 | TACR1 (0.52) | TACR1MAPTMEN1CYP2C9KMT2A | |
| SCHEMBL8911854 | 0.71 | TACR1 (0.45) | TACR1MAPTLMNAGAANPSR1 | |
| SCHEMBL9317759 | 0.69 | TACR1 (0.39) | TACR1TP53MAPTTHRBLMNA | |
| SCHEMBL10927083 | 0.67 | LMNA (0.46) | MAPTLMNACYP1A2CYP3A4GAA | |
| SCHEMBL8910978 | 0.67 | TACR1 (0.57) | TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593557-B1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |
| WO-1993001160-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |
| EP-0522808-A2 | Aromatic compounds, pharmaceutical compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1993-01-13 | — | — | EP | disclosed |