Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | NAAA | Q02083 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31329235 | 0.89 | ALDH1A1 (0.79) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL9236586 | 0.87 | PTPN11 (0.53) | ALDH1A1NPSR1MEN1KMT2AHIF1A | |
| SCHEMBL19979808 | 0.86 | CA12 (0.53) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL11322383 | 0.85 | ALDH1A1 (0.77) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL9117658 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPSR1NAAACA12CA1 | |
| SCHEMBL19975481 | 0.85 | CA12 (0.52) | ALDH1A1NPSR1HCRTR1MAPTHTT | |
| SCHEMBL8516215 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL8366008 | 0.84 | NPSR1 (0.78) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL13577930 | 0.84 | MEN1 (0.78) | ALDH1A1NPSR1HCRTR1MEN1KMT2A | |
| SCHEMBL9119461 | 0.84 | PTPN1 (0.46) | ALDH1A1NPSR1CA12CA1CA2 |
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 1 patent. 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 | disclosed |