Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.95 |
| ▸ | LMNA | P02545 | 3/20 | 0.95 |
| ▸ | CES1 | P23141 | 3/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzoin SCHEMBL28120851 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL901258 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL27696284 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL10665271 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL145 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL5833429 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL2025536 | 0.98 | CES2 (1.00) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL28386182 | 0.95 | CES2 (0.95) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL7766715 | 0.95 | CES2 (0.95) | CES2LMNACES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL11590328 | 0.95 | CES2 (0.95) | CES2LMNACES1ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114308041-A | Preparation method of black nickel oxide and application of black nickel oxide in catalyzing oxidation reaction of 1, 2-diol for breaking C-C bond | 天津理工大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-113842908-A | Regulation and control of C-C bond aerobic oxidative cracking product by vanadium oxide-based photocatalyst | 天津理工大学 | 2021-12-28 | — | — | CN | disclosed |