Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4530549 | 0.94 | ALDH1A1 (0.41) | PDE10AHDAC1HDAC6FLT3HTT | |
| SCHEMBL4542862 | 0.85 | HTT (0.45) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL3699064 | 0.84 | PDE10A (0.41) | PDE10AHDAC1HDAC6FLT3SMN1; SMN2 | |
| SCHEMBL3699067 | 0.84 | PDE10A (0.41) | PDE10AHDAC1HDAC6FLT3SMN1; SMN2 | |
| SCHEMBL4539184 | 0.82 | HDAC1 (0.43) | HDAC1HDAC6HTTKDM4EKMT2A | |
| SCHEMBL4534986 | 0.82 | HDAC1 (0.44) | HDAC1HDAC6HTTKDM4EKMT2A | |
| SCHEMBL4539338 | 0.82 | CTSL (0.47) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4530998 | 0.82 | HDAC1 (0.47) | HDAC1HDAC6HTTKDM4EKMT2A | |
| SCHEMBL4540473 | 0.81 | HDAC1 (0.37) | HDAC1HDAC6HTTHPGDTP53 | |
| SCHEMBL4564684 | 0.81 | HDAC1 (0.42) | HDAC1HDAC6HTTKMT2AMEN1 |
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-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |