Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL9683795 | 0.84 | TDP1 (0.50) | TDP1ALDH1A1CYP3A4TSHRGAA | |
| SCHEMBL9800931 | 0.83 | CYP1A2 (0.41) | TDP1ALDH1A1CYP3A4TSHRHTT | |
| SCHEMBL287395 | 0.81 | ALDH1A1 (0.53) | TDP1ALDH1A1TSHRGAATHRB | |
| SCHEMBL5748776 | 0.81 | PTPRC (0.42) | TDP1ALDH1A1CYP3A4TSHRPOLB | |
| SCHEMBL1980535 | 0.81 | HSD17B10 (0.56) | TDP1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL4006539 | 0.81 | ERN1 (0.57) | ALDH1A1TSHRGAATHRBPOLB | |
| SCHEMBL27620578 | 0.81 | ERN1 (0.41) | TDP1ALDH1A1CYP3A4TSHRHTT | |
| SCHEMBL16975394 | 0.81 | ALDH1A1 (0.56) | TDP1ALDH1A1CYP3A4TSHRHTT | |
| SCHEMBL10034862 | 0.79 | TDP1 (0.57) | TDP1ALDH1A1CYP3A4TSHRGAA | |
| SCHEMBL460989 | 0.79 | HTT (0.66) | TDP1ALDH1A1CYP3A4TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001054656-A1 | NOVEL PRIMARY INTERMEDIATE FOR USE IN OXIDATIVE HAIR DYEING | P&G-CLAIROL, INC. (US) | 2001-08-02 | — | — | WO | disclosed |