Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22366835 | 0.85 | TDP1 (0.38) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL30711864 | 0.82 | TDP1 (0.35) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL660134 | 0.82 | TDP1 (0.35) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL660083 | 0.81 | ERN1 (0.58) | ALDH1A1TDP1KMT2ALMNAERN1 | |
| SCHEMBL981089 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL424091 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TDP1HPGDCYP3A4ALOX15 | |
| SCHEMBL16005511 | 0.77 | KDM4E (0.38) | ALDH1A1TDP1HPGDCYP3A4TSHR | |
| SCHEMBL132042 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRKMT2APDE2A | |
| SCHEMBL952008 | 0.76 | TDP1 (0.55) | ALDH1A1TDP1TSHRKMT2APDE2A | |
| SCHEMBL13955634 | 0.75 | CYP3A4 (0.72) | ALDH1A1TDP1HPGDCYP3A4ALOX15 |
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-5977414-A | 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof | NIPPON SODA CO., LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0881207-A1 | 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NIPPON SODA CO., LTD. (JP) | 1998-12-02 | — | — | EP | disclosed |