Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13465238 | 0.87 | SHMT2 (0.54) | NPC1RAB9APOLBSHMT2BACE1 | |
| SCHEMBL7229196 | 0.84 | NPC1 (0.61) | NPC1RAB9APOLBPLAUCASP3 | |
| SCHEMBL14091122 | 0.84 | CTSK (0.50) | NPC1RAB9AHDAC1SMN1; SMN2HDAC4 | |
| SCHEMBL3811403 | 0.84 | NPC1 (0.68) | NPC1RAB9APOLBHDAC3HDAC1 | |
| SCHEMBL12633528 | 0.83 | HDAC1 (0.78) | HDAC3HDAC1HDAC2NAMPTKDM1A | |
| SCHEMBL8789037 | 0.81 | HDAC1 (0.62) | NPC1RAB9APOLBHDAC3HDAC1 | |
| SCHEMBL3105408 | 0.81 | RAB9A (0.60) | NPC1RAB9APOLBCASP3SMN1; SMN2 | |
| SCHEMBL9686367 | 0.81 | NPC1 (0.57) | NPC1RAB9APOLBLTA4HMAPK14 | |
| SCHEMBL7981351 | 0.81 | NPC1 (0.56) | NPC1RAB9APOLBHDAC3HDAC1 | |
| SCHEMBL30006672 | 0.81 | NPC1 (0.56) | NPC1RAB9APOLBHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |