Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8406870 | 1.00 | CYP2C19 (0.48) | CYP2C19TSHRCYP1A2HTTMAPT | |
| SCHEMBL13159207 | 0.85 | CYP2C19 (0.46) | CYP2C19TSHRCYP1A2HTTHSD17B10 | |
| SCHEMBL24650855 | 0.84 | MAPT (0.41) | CYP2C19TSHRCYP1A2HTTMAPT | |
| SCHEMBL4914398 | 0.83 | ALDH1A1 (0.45) | TSHRHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL8037835 | 0.79 | TSHR (0.45) | CYP2C19TSHRCYP1A2MAPTHSD17B10 | |
| SCHEMBL8049334 | 0.79 | TSHR (0.45) | CYP2C19TSHRCYP1A2MAPTHSD17B10 | |
| SCHEMBL8700638 | 0.77 | HTT (0.52) | CYP2C19TSHRCYP1A2HTTMAPT | |
| SCHEMBL9344185 | 0.77 | TSHR (0.46) | CYP2C19TSHRCYP1A2ATMMEN1 | |
| SCHEMBL28514857 | 0.77 | KDM4E (0.47) | CYP2C19TSHRCYP1A2MAPTHSD17B10 | |
| SCHEMBL11769040 | 0.77 | CYP1A2 (0.46) | CYP2C19TSHRCYP1A2HSD17B10ATM |
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-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |