Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.46 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7796788 | 0.87 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL1295547 | 0.87 | LTB4R (0.49) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL7281204 | 0.86 | CYP2D6 (0.52) | SIGMAR1MAOBCYP2D6 | |
| SCHEMBL24310073 | 0.85 | PTPN1 (0.55) | SIGMAR1MAOBSPHK2SPHK1NR4A2 | |
| SCHEMBL3715955 | 0.85 | SIGMAR1 (0.56) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL31506266 | 0.84 | CYP2D6 (0.58) | LTB4RLTB4R2MAOBHTTCYP2D6 | |
| SCHEMBL67569 | 0.84 | CYP2D6 (0.58) | LTB4RLTB4R2MAOBHTTCYP2D6 | |
| SCHEMBL18551719 | 0.81 | CA12 (0.53) | PDK2IDO1 | |
| SCHEMBL26197202 | 0.80 | LTB4R (0.51) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL32665611 | 0.79 | SMPD1 (0.60) | MAOBCYP2D6SPHK2SPHK1NR4A2 |
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-1159260-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000055124-A2 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |