Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27794837 | 0.82 | TDP1 (0.62) | TDP1ALDH1A1NPC1SMN1; SMN2TSHR | |
| Tert-Butyl Formate SCHEMBL28032597 | 0.81 | TDP1 (0.59) | TDP1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28003959 | 0.79 | CA12 (0.48) | CA12CA1CA2CA9ENPP3 | |
| Formic Acid SCHEMBL28286875 | 0.79 | CA12 (0.48) | CA12CA1CA2CA9ENPP3 | |
| SCHEMBL616 | 0.78 | ESR2 (0.54) | CA12CA1CA2CA9ENPP3 | |
| SCHEMBL29706107 | 0.78 | ESR2 (0.54) | CA12CA1CA2CA9ENPP3 | |
| Tert-Butyl Formate SCHEMBL28146840 | 0.77 | TDP1 (0.59) | TDP1ALDH1A1HPGDNPC1RAB9A | |
| Formaldehyde SCHEMBL29224547 | 0.76 | CA12 (0.53) | CA12CA1CA2CA9ENPP3 | |
| SCHEMBL29109491 | 0.76 | ESR2 (0.54) | CA12CA1CA2CA9ENPP3 | |
| Bromide SCHEMBL1925857 | 0.76 | ESR2 (0.52) | CA12CA1CA2CA9ENPP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101675036-B | Dual-effect benzimidazole antihypertensive agents | THERAVANCE INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101675036-A | Dual-effect benzimidazole antihypertensive agents | THERAVANCE INC | 2010-03-17 | — | — | CN | disclosed |