Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | CPA3 | P15088 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.44 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL13235780 | 1.00 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AALPIPKM | |
| SCHEMBL3440803 | 0.87 | CPA3 (0.62) | NPC1RAB9ACPA3CYP1A2SLC15A1 | |
| SCHEMBL757260 | 0.87 | CPA3 (0.62) | NPC1RAB9ACPA3CYP1A2SLC15A1 | |
| SCHEMBL28228765 | 0.84 | EPHX1 (0.47) | NPC1RAB9AALPIPKMPTGS1 | |
| SCHEMBL29906526 | 0.84 | ACACB (0.45) | KMT2A | |
| SCHEMBL15134804 | 0.82 | NPC1 (0.41) | NPC1RAB9ASLC7A5TAAR1 | |
| SCHEMBL15160674 | 0.82 | NPC1 (0.41) | NPC1RAB9ASLC7A5TAAR1 | |
| SCHEMBL6907271 | 0.81 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9AALPIPKM | |
| SCHEMBL10835297 | 0.81 | ALPI (0.52) | ALDH1A1NPC1RAB9AALPIPKM | |
| SCHEMBL16691549 | 0.81 | ALPI (0.52) | ALDH1A1NPC1RAB9AALPIPKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018098208-A1 | NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |