Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12213575 | 0.75 | IDO1 (0.42) | CES1FAAHSIGMAR1HTR2ASMN1; SMN2 | |
| SCHEMBL2010872 | 0.74 | TDP1 (0.50) | CES1FAAHALDH1A1HPGDALOX15 | |
| SCHEMBL11781938 | 0.74 | TDP1 (0.50) | CES1FAAHALDH1A1HPGDALOX15 | |
| SCHEMBL17289084 | 0.74 | ALDH1A1 (0.41) | CES1FAAHALDH1A1HPGDALOX15 | |
| SCHEMBL8395329 | 0.73 | CES1 (0.46) | CES1FAAHALDH1A1KEAP1TDP1 | |
| SCHEMBL17288497 | 0.72 | ALDH1A1 (0.39) | CES1FAAHALDH1A1HPGDALOX15 | |
| SCHEMBL144712 | 0.72 | ALDH1A1 (0.48) | CES1FAAHALDH1A1HPGDALOX15 | |
| SCHEMBL3535252 | 0.70 | CES1 (0.45) | CES1FAAHFDPS | |
| SCHEMBL11827007 | 0.69 | TDP1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL17288716 | 0.69 | CES1 (0.39) | CES1FAAHALDH1A1HPGDALOX15 |
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-5985863-A | PHARMACEUTICAL COMPOSITIONS FOR DECREASING THE PRODUCTION OF INTERFERON-GAMMA INDUCING FACTOR (IGIF), AND INTERFERON-GAMMA (IFN-GAMMA) COMPRISING COMPOUND WHICH INHIBITS INTERLEUKIN-1.BETA. CONVERTING ENZYME (ICE) | VERTEX PHARMACEUTICALS, INC. (US) | 1999-11-16 | — | — | US | disclosed |