Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | ALB | P02768 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29362443 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1ALOX15ALB | |
| SCHEMBL97828 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1ALOX15ALB | |
| SCHEMBL30968201 | 0.97 | CES2 (0.68) | CES2CES1ALDH1A1ALOX15ALB | |
| Fluoride SCHEMBL6442891 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| SCHEMBL11451385 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| Hydrochloric Acid SCHEMBL23201659 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| Ammonia Solution, Strong SCHEMBL27732698 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| Hydrochloric Acid SCHEMBL6592453 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| SCHEMBL10357059 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB | |
| SCHEMBL28208054 | 0.95 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15ALB |
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 |
|---|---|---|---|---|---|---|---|
| US-5557027-A | METAL COMPLEX WITH CYCLIC PHOSPHORANE LIGAND, PREPARATION OF LINEAR ALPHA-OLEFINS | SHELL OIL COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5439862-A | Comprising transition metal complexed with a five coordinate phosphorus compound, such as a phosphorane; producing linear ethylene oligomers | SHELL OIL COMPANY | 1995-08-08 | — | — | US | disclosed |