Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.43 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468309 | 0.85 | TGM2 (0.42) | ALDH1A1TDP1LMNAKMT2AHPGD | |
| SCHEMBL28469749 | 0.84 | BRD4 (0.50) | CYP3A4ALOX15LMNACYP1A2ADORA3 | |
| SCHEMBL7252884 | 0.84 | HDAC3 (0.42) | ALDH1A1TDP1LMNAGAA | |
| SCHEMBL27604637 | 0.82 | ESR1 (0.53) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL28470051 | 0.81 | CYP1A2 (0.39) | ALDH1A1MAPTLMNACYP1A2CYP2D6 | |
| SCHEMBL8040582 | 0.81 | MAPT (0.48) | ALDH1A1KDM4EMAPTCYP3A4TDP1 | |
| SCHEMBL28224852 | 0.80 | KDM4E (0.39) | ESR1ESR2ABATKDM4E | |
| SCHEMBL8042292 | 0.80 | TGM2 (0.45) | ALDH1A1CYP1A2 | |
| SCHEMBL8028848 | 0.80 | MAPT (0.38) | ALDH1A1KDM4EMAPTGAACA12 | |
| SCHEMBL8038718 | 0.78 | MAPT (0.51) | ALDH1A1KDM4EMAPTCYP3A4TDP1 |
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-0440324-B1 | Substituted beta-diketones and their use in the treatment of inflammatory bowel disease | ORION YHTYMAE OY (FI) | 2000-04-12 | — | — | EP | claimed |