Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 9/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 8/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21730581 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL9670060 | 0.79 | HTR1A (0.44) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL221257 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRATHRBCYP3A4ALOX15 | |
| SCHEMBL3384661 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL1863821 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL1514965 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL2706580 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL8760661 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL8760515 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB | |
| SCHEMBL775269 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EHSD17B10THRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020034062-A1 | PROCESS FOR THE REDUCTIVE AMINATION OF A CARBONYL COMPOUND | RHODIA OPERATIONS (FR) | 2020-02-20 | — | — | WO | disclosed |
| WO-2020034057-A1 | PROCESS FOR REDUCTIVE AMINATION OF α, β-UNSATURATED KETONE | RHODIA OPERATIONS (FR) | 2020-02-20 | — | — | WO | disclosed |