Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 6/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5873407 | 1.00 | CES2 (0.45) | CES2CES1AKR1B1CPA1FNTA | |
| SCHEMBL6045232 | 0.83 | TPMT (0.36) | — | |
| SCHEMBL6045235 | 0.83 | TPMT (0.36) | — | |
| SCHEMBL6045414 | 0.81 | CYP1A2 (0.38) | LMNACYP2D6CYP2C19 | |
| SCHEMBL13005771 | 0.81 | CYP1A2 (0.38) | LMNACYP2D6CYP2C19 | |
| SCHEMBL6045415 | 0.81 | CYP1A2 (0.38) | LMNACYP2D6CYP2C19 | |
| SCHEMBL13005774 | 0.77 | CYP1A2 (0.41) | AKR1B1CYP2D6CYP2C19 | |
| SCHEMBL29094779 | 0.76 | TAAR1 (0.38) | CES2CES1CPA1CYP2D6 | |
| SCHEMBL15828592 | 0.73 | TSHR (0.48) | ALDH1A1LMNAHCAR2 | |
| SCHEMBL30128613 | 0.73 | FBP1 (0.46) | ALDH1A1LMNACYP2C19 |
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-7045360-B2 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-05-16 | — | — | US | disclosed |
| US-20020090728-A1 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-07-11 | — | — | US | disclosed |
| WO-2001057526-A1 | METHOD FOR ANALYSIS OF REACTION PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-08-09 | — | — | WO | disclosed |