Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | XIAP | P98170 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 8/20 | 0.51 |
| ▸ | MAOB | P27338 | 8/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1745496 | 0.80 | MAOA (0.58) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| SCHEMBL18215318 | 0.79 | ALOX5 (0.72) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| Hydrochloric Acid SCHEMBL9255930 | 0.78 | MAOA (0.50) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| SCHEMBL8066329 | 0.78 | ALDH1A1 (0.56) | ALOX5ALDH1A1HSD17B10CYP1A2CYP2C9 | |
| SCHEMBL27834214 | 0.78 | MAOA (0.60) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| SCHEMBL27642190 | 0.77 | ALOX5 (0.51) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| Bromide SCHEMBL11366637 | 0.77 | ALDH1A1 (0.55) | ALOX5ALDH1A1HSD17B10CYP1A2CYP2C9 | |
| SCHEMBL10810440 | 0.76 | ALOX5 (0.76) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| SCHEMBL5360079 | 0.75 | XIAP (0.64) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 | |
| SCHEMBL15086878 | 0.75 | ALOX5 (0.74) | ALOX5ALDH1A1HSD17B10XIAPCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7307095-B2 | Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide | IRM LLC (BM) | 2007-12-11 | — | — | US | disclosed |