Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4539397 | 0.94 | PDE10A (0.41) | ALDH1A1KDM4ERAB9ACYP1A2CYP3A4 | |
| SCHEMBL3703540 | 0.86 | PDE10A (0.40) | ALDH1A1KDM4ERAB9APDE10AKMT2A | |
| SCHEMBL3703537 | 0.86 | PDE10A (0.40) | ALDH1A1KDM4ERAB9APDE10AKMT2A | |
| SCHEMBL4542862 | 0.84 | HTT (0.45) | HTTTP53LMNAHPGDHDAC1 | |
| SCHEMBL4534986 | 0.81 | HDAC1 (0.44) | KDM4EKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL4539184 | 0.81 | HDAC1 (0.43) | KDM4EKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL4539338 | 0.81 | CTSL (0.47) | HTTTP53LMNAHPGDHDAC1 | |
| SCHEMBL4530998 | 0.81 | HDAC1 (0.47) | KDM4EKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL4540473 | 0.80 | HDAC1 (0.37) | HTTTP53LMNAHPGDHDAC1 | |
| SCHEMBL4564684 | 0.80 | HDAC1 (0.42) | KMT2AMEN1HTTTP53LMNA |
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 |