Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL6882653 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL5846615 | 0.72 | CTSD (0.45) | CTSDALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL7473082 | 0.71 | NSD2 (0.57) | ALDH1A1HDAC2HDAC8HDAC6KDM4E | |
| SCHEMBL6431361 | 0.70 | HDAC3 (0.59) | CTSDALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL1196449 | 0.69 | KDM4E (0.47) | ALDH1A1POLBKDM4EMEN1KMT2A | |
| SCHEMBL9710927 | 0.69 | MAPT (0.61) | ALDH1A1POLBKDM4EMEN1KMT2A | |
| SCHEMBL27761963 | 0.68 | CTSD (0.64) | CTSDALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL7990575 | 0.68 | HDAC3 (0.41) | ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL6858498 | 0.68 | HDAC3 (0.65) | CTSDALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL6686258 | 0.66 | POLB (0.76) | CTSDALDH1A1HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1274676-A2 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001079155-A2 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-10-25 | — | — | WO | disclosed |