Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717274 | 0.95 | NPC1 (0.43) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL2130427 | 0.82 | RAB9A (0.49) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL10048204 | 0.80 | IDO1 (0.55) | L3MBTL1SIGMAR1IDO1LMNA | |
| SCHEMBL4858 | 0.78 | TAAR1 (0.47) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL27881438 | 0.74 | SMN1; SMN2 (0.59) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL687846 | 0.74 | SMN1; SMN2 (0.59) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL8236425 | 0.74 | IDO1 (0.48) | L3MBTL1SIGMAR1IDO1 | |
| SCHEMBL6740350 | 0.74 | TAAR1 (0.46) | TAAR1HTR2ANPC1NFKB1MAPK1 | |
| SCHEMBL21700176 | 0.74 | TAAR1 (0.46) | TAAR1HTR2APOLBCTDSP1SIGMAR1 | |
| SCHEMBL11108664 | 0.74 | TAAR1 (0.47) | TAAR1HTR2ANPC1RAB9APOLB |
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-5137653-A | Alkanoyl ester compounds and their intermediates and method of producing the same | NIPPON MINING CO., LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0311692-B1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1992-07-08 | — | — | EP | disclosed |
| EP-0311692-A1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1989-04-19 | — | — | EP | disclosed |