Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.64 |
| ▸ | RAB9A | P51151 | 5/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.58 |
| ▸ | KDM1A | O60341 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ESRRG | P62508 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31424939 | 0.87 | HDAC8 (0.76) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL3641509 | 0.87 | HDAC2 (0.76) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL29332482 | 0.86 | TSHR (0.64) | RAB9AHDAC2HDAC8HDAC6MAPT | |
| SCHEMBL23573700 | 0.84 | KDM1A (0.61) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL15679860 | 0.83 | NPC1 (0.77) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL23573699 | 0.82 | KDM1A (0.59) | NPC1RAB9AKDM1ASMN1; SMN2MAPT | |
| SCHEMBL5969191 | 0.82 | RAB9A (0.88) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL3454053 | 0.81 | HDAC2 (0.66) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL14198240 | 0.81 | RAB9A (0.77) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL14469162 | 0.80 | NPC1 (0.84) | NPC1RAB9AHDAC2HDAC8HDAC6 |
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-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | claimed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | claimed |