Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27423216 | 1.00 | KCNH2 (0.33) | KCNH2ALDH1A1PKMDPP4HRH3 | |
| SCHEMBL10191388 | 1.00 | KCNH2 (0.33) | KCNH2ALDH1A1PKMDPP4HRH3 | |
| SCHEMBL12718200 | 0.89 | ALDH1A1 (0.39) | KCNH2ALDH1A1PKMHRH3KDM4E | |
| SCHEMBL16509721 | 0.89 | ALDH1A1 (0.39) | KCNH2ALDH1A1PKMHRH3KDM4E | |
| SCHEMBL10192023 | 0.89 | ALDH1A1 (0.39) | KCNH2ALDH1A1PKMHRH3KDM4E | |
| SCHEMBL12424502 | 0.88 | MEN1 (0.38) | KCNH2HRH3CHRM2CHRM4CHRM1 | |
| SCHEMBL25972140 | 0.86 | DPP4 (0.36) | ALDH1A1DPP4KDM4EKDM2BMEN1 | |
| SCHEMBL12718187 | 0.85 | DPP4 (0.36) | KCNH2ALDH1A1PKMDPP4HRH3 | |
| SCHEMBL12718177 | 0.85 | DPP4 (0.36) | KCNH2ALDH1A1PKMDPP4HRH3 | |
| SCHEMBL23487050 | 0.82 | — | — |
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-2021208963-A1 | BCL-2 INHIBITOR | BEIGENE, LTD. (KY) | 2021-10-21 | — | — | WO | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |