Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 6/20 | 0.51 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTRA1 | Q92743 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6261064 | 0.82 | EPHX2 (0.39) | PIN1 | |
| SCHEMBL6261603 | 0.79 | BCHE (0.43) | METAP2METAP1CTSLCTSSCTSK | |
| SCHEMBL6262770 | 0.79 | METAP2 (0.43) | PIN1METAP2METAP1CTSLCTSS | |
| SCHEMBL6325268 | 0.78 | PIN1 (0.65) | PIN1METAP2METAP1CTSLCTSS | |
| SCHEMBL6261906 | 0.78 | PIN1 (0.41) | PIN1 | |
| SCHEMBL6262774 | 0.74 | PIN1 (0.47) | PIN1METAP2METAP1CTSLCTSS | |
| SCHEMBL6260712 | 0.72 | S1PR4 (0.30) | — | |
| SCHEMBL6258385 | 0.70 | EPHX1 (0.55) | EPHX1 | |
| SCHEMBL6268440 | 0.68 | PIN1 (0.79) | PIN1METAP2 | |
| SCHEMBL6329760 | 0.68 | PIN1 (1.00) | PIN1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | claimed |