Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17040218 | 0.82 | HSP90AB1 (0.47) | HDAC4HDAC1HDAC6HSP90AA1HSP90AB1 | |
| SCHEMBL17040220 | 0.82 | CDK1 (0.66) | CDK1LMNATP53CFTRADORA3 | |
| SCHEMBL17484493 | 0.76 | P2RX7 (0.44) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL19204894 | 0.76 | P2RX7 (0.44) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL29426225 | 0.76 | CDK1 (0.68) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL183035 | 0.76 | CDK1 (0.68) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL13212062 | 0.76 | P2RX7 (0.44) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL11456968 | 0.76 | P2RX7 (0.44) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL18526643 | 0.76 | P2RX7 (0.44) | CDK1P2RX7LMNATP53YTHDC1 | |
| SCHEMBL1868819 | 0.73 | FDPS (0.44) | P2RX7HDAC6ADORA2AADORA1 |
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-2648517-B1 | TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME (US) | 2015-08-05 | — | — | EP | disclosed |