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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL23529686 | 0.99 | KMT2A (0.52) | KMT2ATSHRMEN1HTTHPGD | |
| Methanesulfonic Acid Methyl Ester SCHEMBL23529684 | 0.92 | HTT (0.47) | KMT2ATSHRMEN1HTTHPGD | |
| SCHEMBL7094874 | 0.91 | HTT (0.56) | KMT2ATSHRMEN1HTTHPGD | |
| SCHEMBL30000671 | 0.91 | HTT (0.56) | KMT2ATSHRMEN1HTTHPGD | |
| SCHEMBL23529842 | 0.79 | MEN1 (0.44) | KMT2ATSHRMEN1HTTALDH1A1 | |
| SCHEMBL28591407 | 0.78 | MEN1 (0.43) | KMT2ATSHRMEN1HTTALDH1A1 | |
| SCHEMBL4319471 | 0.77 | PDE4B (0.47) | KMT2AMEN1HTTMAPTL3MBTL1 | |
| SCHEMBL7094207 | 0.76 | CYP19A1 (0.55) | KMT2AMEN1HTTMAPTKDM4E | |
| SCHEMBL27766479 | 0.76 | POLB (0.41) | KMT2AHTTL3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL30046411 | 0.75 | HTT (0.56) | KMT2ATSHRMEN1HTTMAPT |
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-113004286-B | Tricyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| CN-113004286-A | Tricyclic compounds as plasma kallikrein inhibitors and uses thereof | 成都康弘药业集团股份有限公司 | 2021-06-22 | — | — | CN | disclosed |