Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 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 | |
|---|---|---|---|---|
| SCHEMBL18175060 | 0.77 | PARP1 (0.62) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL15434763 | 0.76 | CYP3A4 (0.42) | PARP1SMN1; SMN2MEN1KMT2ACYP1A2 | |
| SCHEMBL19983564 | 0.76 | PARP1 (0.55) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL11122251 | 0.74 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL26345894 | 0.74 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL11122254 | 0.74 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL19156896 | 0.74 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL19036467 | 0.74 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL11124682 | 0.73 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2KCNK3 | |
| SCHEMBL20632312 | 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 |