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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | EP300 | Q09472 | 1/20 | 0.49 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.49 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.49 |
| ▸ | G6PD | P11413 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 1-Naphthol SCHEMBL29216682 | 0.89 | CYP1A2 (0.71) | CYP1A2HSD17B1HSD17B2HCRTR1EP300 | |
| SCHEMBL3165943 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| SCHEMBL29689075 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| SCHEMBL29389852 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| SCHEMBL27519636 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| SCHEMBL218498 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| SCHEMBL30721806 | 0.87 | CYP1A2 (0.73) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| Methane SCHEMBL27869293 | 0.85 | CYP1A2 (0.70) | CYP1A2HPRT1TRPM4TDP1ALDH1A1 | |
| Phenanthrene SCHEMBL28164716 | 0.84 | ALDH1A1 (0.60) | HCRTR1HPRT1G6PDKEAP1TDP1 | |
| 1-Naphthol SCHEMBL30669386 | 0.81 | CYP1A2 (0.77) | CYP1A2HCRTR1G6PDCDK2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109574809-B | Synthesis method of hydroxyl-substituted phenanthrene derivative | 华东理工大学 | 2020-07-03 | — | — | CN | disclosed |