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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30296134 | 0.87 | — | — | |
| SCHEMBL381074 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL4422238 | 0.85 | POLB (0.42) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| Hydrochloric Acid SCHEMBL3163389 | 0.85 | POLB (0.42) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL3720583 | 0.83 | POLB (0.41) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL3709551 | 0.78 | HTT (0.39) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL1606249 | 0.77 | CYP11B2 (0.43) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL27957052 | 0.76 | APLNR (0.46) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL16195465 | 0.75 | CYP11B1 (0.38) | KDM4ESMN1; SMN2HTTMAPTPOLB | |
| SCHEMBL16196631 | 0.75 | CYP11B2 (0.39) | KDM4ESMN1; SMN2HTTMAPTPOLB |
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-103626693-B | One class pleuromutilin derivative, its pharmaceutical composition and synthetic method thereof and purposes | 中国科学院上海药物研究所 | 2016-09-14 | — | — | CN | disclosed |