Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | TYR | P14679 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30146401 | 1.00 | ALDH1A1 (0.54) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL241916 | 0.75 | ALDH1A1 (0.65) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL29411233 | 0.74 | MEN1 (0.55) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL29411247 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL17979341 | 0.74 | MEN1 (0.55) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL3720990 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL17979249 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL29411219 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL21555613 | 0.74 | TYR (0.46) | ALDH1A1MEN1PKMKMT2ATYR | |
| SCHEMBL8218007 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1PKMKMT2ATYR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117412973-A | Nitrogen-containing fused heteroaromatic bicyclic compounds as USP1 inhibitors and uses thereof | 上海瑛派药业有限公司 | 2024-01-16 | — | — | CN | disclosed |
| WO-2022253188-A1 | NITROGEN-CONTAINING FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS USP1 INHIBITORS AND THE USE THEREOF | IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) | 2022-12-08 | — | — | WO | disclosed |