Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 6/20 | 0.49 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9116966 | 0.99 | ALDH1A1 (0.53) | ALDH1A1NPSR1CNR2CNR1MEN1 | |
| SCHEMBL8516580 | 0.92 | CNR2 (0.49) | ALDH1A1NPSR1CNR2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL9239580 | 0.91 | CNR2 (0.48) | ALDH1A1NPSR1CNR2HDAC3HDAC1 | |
| SCHEMBL8516635 | 0.87 | ALDH1A1 (0.51) | ALDH1A1NPSR1CNR2CNR1MEN1 | |
| SCHEMBL8369255 | 0.87 | ALDH1A1 (0.47) | ALDH1A1NPSR1CNR2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL9118183 | 0.86 | ALDH1A1 (0.47) | ALDH1A1NPSR1CNR2HDAC3HDAC1 | |
| SCHEMBL8366085 | 0.85 | PTPN11 (0.56) | ALDH1A1NPSR1MEN1KMT2AHIF1A | |
| Hydrochloric Acid SCHEMBL9116761 | 0.84 | PTPN11 (0.55) | ALDH1A1NPSR1MEN1KMT2AHIF1A | |
| SCHEMBL15923346 | 0.84 | ALDH1A1 (0.70) | ALDH1A1NPSR1CNR2CNR1MEN1 | |
| SCHEMBL8367716 | 0.84 | ALDH1A1 (0.70) | ALDH1A1NPSR1CNR2CNR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995017888-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1995-07-06 | — | — | WO | claimed |
| EP-0738144-A4 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORP (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0738144-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995017888-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |