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 | |
|---|---|---|---|---|
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940187 | 0.87 | ALDH1A1 (0.39) | CYP3A4ALDH1A1 | |
| SCHEMBL24587400 | 0.76 | JAK2 (0.37) | BRD4LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17052893 | 0.72 | P2RX7 (0.36) | KDM4ELMNAALDH1A1 | |
| SCHEMBL22477293 | 0.71 | CYP3A4 (0.49) | CYP3A4HPGDKDM4ELMNAGABRG2 | |
| SCHEMBL31032880 | 0.71 | CYP1A2 (0.46) | CYP3A4HPGDKDM4ELMNACYP1A2 | |
| SCHEMBL16465971 | 0.71 | NNMT (0.47) | CYP3A4HPGDKDM4EALDH1A1HPGDS | |
| SCHEMBL6183995 | 0.71 | CYP3A4 (0.41) | BRD4CYP3A4HPGDALDH1A1PTGS1 | |
| Sulfuric Acid SCHEMBL6156209 | 0.71 | NOS3 (0.45) | KDM4ELMNACYP1A2ALDH1A1CA1 | |
| SCHEMBL11513704 | 0.70 | GLA (0.49) | CYP3A4HPGDKDM4ELMNAALDH1A1 | |
| SCHEMBL312811 | 0.69 | TSHR (0.43) | CYP3A4HPGDKDM4ELMNAGABRG2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111808102-B | 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof | 南通大学 | 2021-12-31 | — | — | CN | claimed |
| CN-111808102-A | 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof | 南通大学 | 2020-10-23 | — | — | CN | claimed |
| CN-111808102-B | 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof | 南通大学 | 2021-12-31 | — | — | CN | disclosed |
| CN-111808102-A | 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof | 南通大学 | 2020-10-23 | — | — | CN | disclosed |