Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | UNG | P13051 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.32 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776983 | 0.88 | ALDH1A1 (0.33) | ALDH1A1RAB9AUNGKDM4EPTGS2 | |
| SCHEMBL5912979 | 0.81 | HTR2C (0.36) | ALDH1A1AOX1 | |
| SCHEMBL5774633 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3MEN1KMT2AALDH3A1 | |
| SCHEMBL1935709 | 0.75 | RAB9A (0.47) | ALDH1A1RAB9ACYP2A6CYP2A13ALDH1A3 | |
| SCHEMBL5779411 | 0.75 | NSD2 (0.41) | NPC1MEN1KMT2A | |
| SCHEMBL322185 | 0.74 | NPC1 (0.46) | ALDH1A1RAB9AKDM4ENPC1MEN1 | |
| SCHEMBL5912980 | 0.73 | MEN1 (0.36) | ALDH1A1ALDH1A3MEN1KMT2AALDH3A1 | |
| SCHEMBL5779953 | 0.70 | LTA4H (0.34) | ALDH1A1RAB9AUNGKDM4EPTGS2 | |
| SCHEMBL5912956 | 0.70 | HTR2C (0.36) | ALDH1A1 | |
| SCHEMBL28810738 | 0.70 | ALDH1A1 (0.42) | ALDH1A1RAB9AKDM4EPTGS2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1612204-A1 | HYDRAZONE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-01-04 | — | — | EP | disclosed |