Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL315074 | 0.81 | MAOB (0.52) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| SCHEMBL3241607 | 0.73 | MAOB (0.48) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| Phenylacetaldehyde SCHEMBL6315639 | 0.71 | MAOB (0.52) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| SCHEMBL4079504 | 0.70 | ALDH1A1 (0.67) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| Allylbenzene SCHEMBL995541 | 0.70 | MAOB (0.50) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| SCHEMBL5831023 | 0.70 | MAOB (0.50) | MAOBALDH1A1TSHRTP53CA1 | |
| Hydrochloric Acid SCHEMBL27259243 | 0.69 | ALDH1A1 (0.64) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| Allylbenzene SCHEMBL1809413 | 0.68 | MAOB (0.48) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| SCHEMBL10761110 | 0.68 | ALDH1A1 (0.50) | MAOBALDH1A1TSHRAOC3TAAR1 | |
| SCHEMBL7980741 | 0.68 | MAOB (0.61) | MAOBALDH1A1TSHRAOC3TAAR1 |
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-6025374-A | Azetidine, pyrrolidine and piperidine derivatives as 5HT1 receptor agonists | MERCK SHARP & DOHME, LTD. (GB) | 2000-02-15 | — | — | US | disclosed |
| EP-0796258-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996017842-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |