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 | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8644572 | 0.96 | CYP1A1 (0.54) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8647153 | 0.87 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8646382 | 0.87 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8650926 | 0.87 | ATM (0.39) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8646247 | 0.86 | MAPT (0.46) | MAPTKMT2ANPC1RAB9AMEN1 | |
| SCHEMBL8648666 | 0.86 | ALDH1A1 (0.38) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8650946 | 0.85 | F7 (0.38) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8650927 | 0.83 | NPC1 (0.45) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 | |
| SCHEMBL8648671 | 0.83 | KMT2A (0.47) | CYP1A1CYP1A2CYP1B1MAPTKMT2A | |
| SCHEMBL8649037 | 0.82 | ATM (0.42) | CYP1A1CYP1A2CYP1B1CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0861831-A1 | HETEROARYL-SUBSTITUTED ACRYLOYLGUANIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1998-09-02 | — | — | EP | disclosed |