Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.74 |
| ▸ | CA9 | Q16790 | 2/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.74 |
| ▸ | CA3 | P07451 | 1/20 | 0.74 |
| ▸ | CA4 | P22748 | 1/20 | 0.74 |
| ▸ | CA6 | P23280 | 1/20 | 0.74 |
| ▸ | CA5A | P35218 | 1/20 | 0.74 |
| ▸ | CA7 | P43166 | 1/20 | 0.74 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.74 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.74 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.74 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL31503134 | 0.92 | CA12 (0.80) | CA12CA9CA1CA3CA4 | |
| Sulfuric Acid SCHEMBL48929 | 0.92 | CA12 (0.80) | CA12CA9CA1CA3CA4 | |
| Methanesulfonamide SCHEMBL14786235 | 0.89 | CA12 (0.74) | CA12CA9CA1CA3CA4 | |
| Methyl Alcohol SCHEMBL10568722 | 0.88 | CA12 (0.87) | CA12CA9CA1CA3CA4 | |
| SCHEMBL5437282 | 0.86 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL29351086 | 0.86 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL8621 | 0.86 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| SCHEMBL30958273 | 0.86 | CA12 (1.00) | CA12CA9CA1CA3CA4 | |
| Trifluoromethanesulfonic Acid SCHEMBL2480378 | 0.84 | CA12 (0.67) | CA12CA9CA1CA3CA4 | |
| Hydrochloric Acid SCHEMBL4429445 | 0.84 | CA12 (0.95) | CA12CA9CA1CA3CA4 |
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-106255692-B | Imidazo [4,5-c ] quinolin-2-one compounds and their use in treating cancer | 阿斯利康(瑞典)有限公司 | 2019-02-26 | — | — | CN | disclosed |
| CN-106255692-A | Imidazo [4,5-c ] quinolin-2-one compounds and their use in treating cancer | 阿斯利康(瑞典)有限公司 | 2016-12-21 | — | — | CN | disclosed |