Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4374049 | 0.90 | BCHE (0.61) | NPC1RAB9AACHEBCHEKMT2A | |
| SCHEMBL4802333 | 0.88 | NPC1 (0.51) | NPC1RAB9AACHEKMT2AALDH1A1 | |
| SCHEMBL17275348 | 0.84 | NPC1 (0.50) | NPC1RAB9AACHEBCHEKMT2A | |
| SCHEMBL34474245 | 0.83 | NPC1 (0.58) | NPC1RAB9AACHEBCHEKMT2A | |
| SCHEMBL1727025 | 0.80 | KMT2A (0.62) | NPC1RAB9AKMT2AHDAC2HDAC8 | |
| SCHEMBL5175327 | 0.79 | TDP1 (0.54) | NPC1RAB9AACHEKMT2AHDAC3 | |
| SCHEMBL5758293 | 0.78 | RAB9A (0.50) | NPC1RAB9AACHEBCHEKMT2A | |
| SCHEMBL829335 | 0.78 | ALOX5 (0.61) | NPC1RAB9AKMT2AHDAC3HDAC1 | |
| SCHEMBL361027 | 0.76 | ALOX5 (0.53) | NPC1RAB9AL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL11273441 | 0.76 | ALDH1A1 (0.57) | NPC1RAB9AACHEBCHEKMT2A |
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-3377474-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX Pharmaceuticals, Inc. (US) | 2018-09-26 | — | — | EP | disclosed |
| WO-2009152474-A2 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | VIROBAY, INC. (US) | 2009-12-17 | — | — | WO | disclosed |