Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | CASP7 | P55210 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | MPI | P34949 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11775147 | 0.85 | — | — | |
| SCHEMBL1646179 | 0.81 | MEN1 (0.40) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL8773088 | 0.80 | MAOA (0.34) | NPC1RAB9A | |
| SCHEMBL6427919 | 0.78 | CES1 (0.42) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL795789 | 0.74 | NPC1 (0.31) | NPC1RAB9AALDH1A1TP53GAA | |
| SCHEMBL3368925 | 0.72 | — | — | |
| SCHEMBL29930075 | 0.72 | — | — | |
| SCHEMBL26205055 | 0.70 | CDC25B (0.44) | NPC1RAB9AALDH1A1TP53HPGD | |
| SCHEMBL26205060 | 0.70 | — | — | |
| SCHEMBL5613103 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3328851-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | Bristol-Myers Squibb Company (US) | 2018-06-06 | — | — | EP | disclosed |
| WO-2017019819-A1 | FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-02 | — | — | WO | disclosed |
| EP-2566869-A1 | PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE | Gilead Connecticut, Inc. (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140488-A1 | PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE | GILEAD CONNECTICUT, INC. (US) | 2011-11-10 | — | — | WO | disclosed |