Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.52 |
| ▸ | RAB9A | P51151 | 9/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.46 |
| ▸ | NR0B1 | P51843 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6464483 | 0.74 | HDAC1 (0.55) | NPC1RAB9AHDAC1NTRK1NTRK2 | |
| SCHEMBL30648563 | 0.73 | RAB9A (0.88) | NPC1RAB9AATMNR0B1MEN1 | |
| SCHEMBL1752087 | 0.71 | P2RX7 (0.53) | NPC1RAB9AHDAC1NTRK1NTRK2 | |
| SCHEMBL1652624 | 0.70 | NPC1 (0.61) | NPC1RAB9AATMNR0B1MEN1 | |
| SCHEMBL6311452 | 0.69 | HDAC1 (0.51) | NPC1RAB9AHDAC1NTRK1NTRK2 | |
| SCHEMBL17799203 | 0.69 | NPC1 (0.54) | NPC1RAB9AATMNR0B1MEN1 | |
| SCHEMBL6399279 | 0.69 | KDM4E (0.56) | NPC1RAB9AHDAC1NTRK1NTRK2 | |
| SCHEMBL32674134 | 0.68 | MAPT (0.59) | NPC1RAB9AHDAC1NTRK1NTRK2 | |
| SCHEMBL31095864 | 0.68 | RAB9A (0.78) | NPC1RAB9AATMNR0B1MEN1 | |
| SCHEMBL18196959 | 0.66 | RAB9A (0.69) | NPC1RAB9AATMMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180121597-A1 | Methods to Prepare and Employ Binding Site Models for Modulation of Phosphatase Activity and Selectivity Determination | ALLOSTA PHARMACEUTICALS (US) | 2018-05-03 | — | — | US | disclosed |