Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 10/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6513272 | 0.81 | CYP2A6 (0.67) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4551879 | 0.78 | PRF1 (0.42) | PRKCIHDAC4HDAC1HDAC6CYP2A6 | |
| SCHEMBL13361821 | 0.76 | CYP2E1 (0.36) | PRKCICYP2A6CYP2C19CYP2E1CYP2C9 | |
| SCHEMBL20388926 | 0.76 | PRKCI (0.66) | PRKCIHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL31467963 | 0.73 | — | — | |
| SCHEMBL7751921 | 0.73 | MAPT (0.56) | PRKCIHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL18866660 | 0.73 | PRKCI (0.62) | PRKCIHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL31305759 | 0.72 | APP (0.58) | HDAC3HDAC1HDAC2HDAC8CYP2A6 | |
| SCHEMBL572604 | 0.72 | CYP2A6 (0.66) | PRKCIHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9887886 | 0.71 | PRKCI (0.60) | PRKCIHDAC3HDAC4HDAC1HDAC7 |
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-2627181-A2 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051410-A2 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-19 | — | — | WO | disclosed |