Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL8098608 | 1.00 | HTR2C (0.54) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL8098599 | 1.00 | HTR2C (0.54) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL8098003 | 0.84 | SLC9A1 (0.51) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL6321790 | 0.84 | SLC9A1 (0.51) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL8098006 | 0.84 | SLC9A1 (0.51) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL8332475 | 0.83 | HTR2C (0.58) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL3287384 | 0.80 | SLC9A1 (0.56) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL3287396 | 0.80 | SLC9A1 (0.56) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL3287387 | 0.80 | SLC9A1 (0.56) | HTR2CHTR2AHTR2BSLC9A1KDM1A | |
| SCHEMBL8096225 | 0.73 | MTNR1B (0.51) | SLC9A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0747346-B1 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL MYERS SQUIBB CO (US) | 2000-02-16 | — | — | EP | disclosed |
| US-5889031-A | CONTROLLING CIRCADIAN RHYTHMS | BRISTOL-MYERS SQUIBB COMPNAY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | disclosed |
| EP-0747346-A2 | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |