Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.31 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7998651 | 0.93 | ALDH1A1 (0.34) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7476628 | 0.92 | POLB (0.35) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7347547 | 0.89 | CYP1A2 (0.46) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8010692 | 0.87 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7480359 | 0.87 | NPC1 (0.38) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8010702 | 0.83 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7346621 | 0.82 | MEN1 (0.43) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7478471 | 0.81 | MAP3K7 (0.36) | CYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8022968 | 0.81 | NPC1 (0.42) | SMN1; SMN2HPGDMEN1KMT2AKDM4E | |
| SCHEMBL7338964 | 0.81 | KMT2A (0.43) | POLBCYP1A2CYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6054457-A | Benzamide derivatives and their use as vasopressin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |