Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.33 |
| ▸ | GLP1R | P43220 | 1/20 | 0.32 |
| ▸ | VEGFA | P15692 | 1/20 | 0.32 |
| ▸ | ARNT | P27540 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.30 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.30 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11862605 | 0.86 | EPAS1 (0.35) | ALDH1A1EPAS1GLP1RVEGFAARNT | |
| SCHEMBL11814832 | 0.86 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11863601 | 0.85 | DCTPP1 (0.36) | ALDH1A1EPAS1GLP1RVEGFAARNT | |
| SCHEMBL11863095 | 0.84 | EPAS1 (0.34) | ALDH1A1EPAS1GLP1RVEGFAARNT | |
| SCHEMBL11816808 | 0.82 | ALDH1A1 (0.38) | ALDH1A1EPAS1VEGFAARNTCYP3A4 | |
| SCHEMBL11860310 | 0.82 | EPAS1 (0.33) | ALDH1A1EPAS1GLP1RVEGFACYP3A4 | |
| SCHEMBL11827944 | 0.81 | ALDH1A1 (0.36) | ALDH1A1EPAS1VEGFAARNTCYP2C19 | |
| SCHEMBL11867650 | 0.81 | MEN1 (0.38) | ALDH1A1EPAS1GLP1RVEGFA | |
| SCHEMBL11815809 | 0.81 | ALDH1A1 (0.39) | ALDH1A1EPAS1VEGFAARNTCYP3A4 | |
| SCHEMBL11811536 | 0.80 | — | — |
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-3954792-A | 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | claimed |
| US-3954792-A | 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |