Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29934134 | 1.00 | CES2 (0.57) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL17978153 | 0.86 | LMNA (0.50) | NPC1TDP1RAB9AESR1ESR2 | |
| SCHEMBL2331478 | 0.84 | CES2 (0.55) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL6960375 | 0.84 | CES2 (0.55) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL641903 | 0.84 | POLB (0.62) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL31237097 | 0.84 | POLB (0.62) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL2410692 | 0.81 | CES2 (0.61) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL9463555 | 0.81 | ADRB2 (0.72) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL522694 | 0.81 | LMNA (0.64) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL11354226 | 0.81 | CES2 (0.52) | CES2CES1NPC1TDP1ADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021139748-A1 | SPIROCYCLIC TETRAHYDROQUINAZOLINES | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-07-15 | — | — | WO | disclosed |
| EP-3172211-A1 | COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-05-31 | — | — | EP | disclosed |
| WO-2016011930-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |