Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 5/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL20138807 | 1.00 | KDM4E (0.64) | KDM4EALDH1A1HPGDCXCR5NPC1 | |
| SCHEMBL20138725 | 0.77 | HPGD (0.48) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL20138726 | 0.77 | HPGD (0.48) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL18208239 | 0.76 | HPGD (0.56) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL18208241 | 0.76 | HPGD (0.56) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL20138796 | 0.76 | HPGD (0.51) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL20138798 | 0.76 | HPGD (0.51) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL18216438 | 0.75 | HPGD (0.55) | HPGDNPC1RAB9AKMT2ACHRM4 | |
| SCHEMBL18208410 | 0.74 | HPGD (0.53) | ALDH1A1HPGDNPC1RAB9AKMT2A | |
| SCHEMBL18208412 | 0.74 | HPGD (0.53) | ALDH1A1HPGDNPC1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | claimed |
| WO-2018087126-A1 | AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-17 | — | — | WO | disclosed |