Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20997715 | 0.79 | F2 (0.46) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL20998065 | 0.79 | KDM4E (0.56) | PARP1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL20997871 | 0.76 | ALDH1A1 (0.40) | HDAC6SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL20997692 | 0.76 | MAOA (0.39) | PARP1HDAC8HDAC6SMN1; SMN2MEN1 | |
| SCHEMBL20998069 | 0.74 | CES2 (0.51) | MEN1KMT2AALDH1A1POLB | |
| SCHEMBL20998024 | 0.74 | MAPT (0.54) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL5147645 | 0.73 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL18231528 | 0.73 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL661545 | 0.73 | HDAC8 (0.69) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL6959682 | 0.73 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 |
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-3483147-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Innocrin Pharmaceuticals, Inc. (US) | 2019-05-15 | — | — | EP | disclosed |