Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22732006 | 0.85 | CA12 (0.36) | RAB9ANPC1SMN1; SMN2MAPTDAO | |
| SCHEMBL22717580 | 0.79 | SIRT6 (0.33) | — | |
| SCHEMBL29694988 | 0.78 | GPR119 (0.38) | MBOAT4 | |
| SCHEMBL22732283 | 0.75 | MEN1 (0.44) | MAPTALDH1A1NPSR1L3MBTL1KMT2A | |
| SCHEMBL22731921 | 0.73 | GRM2 (0.35) | RAB9ANPC1SMN1; SMN2MAPTDAO | |
| SCHEMBL12141412 | 0.72 | S1PR4 (0.47) | RAB9ANPC1SMN1; SMN2MAPTGRM2 | |
| SCHEMBL2029452 | 0.72 | CDK8 (0.35) | RAB9ANPC1SMN1; SMN2PKM | |
| SCHEMBL29574285 | 0.72 | RAB9A (0.45) | RAB9ANPC1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL22717358 | 0.72 | RAB9A (0.45) | RAB9ANPC1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL11926655 | 0.70 | GRM2 (0.37) | RAB9ANPC1DAOGRM2GRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976608-B1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES INC (US) | 2023-11-08 | — | — | EP | disclosed |
| CN-114127062-A | Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta | 伊迪亚生物科学有限公司 | 2022-03-01 | — | — | CN | disclosed |
| WO-2020243459-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | IDEAYA BIOSCIENCES, INC. (US) | 2020-12-03 | — | — | WO | disclosed |