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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.50 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.50 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8996340 | 0.96 | KDM4E (0.54) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8996365 | 0.95 | KDM4E (0.53) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996330 | 0.82 | AMY1A (0.54) | KMT2AKDM4EALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8996601 | 0.80 | PDE5A (0.48) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996426 | 0.79 | RAB9A (0.43) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996336 | 0.79 | NPC1 (0.48) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996439 | 0.75 | TTR (0.57) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996325 | 0.74 | F7 (0.51) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8996467 | 0.74 | KDM4E (0.53) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5613348 | 0.71 | ALDH1A1 (0.73) | KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5480873-A | ARTHRITIS | LILLY INDUSTRIES LIMITED (GB) | 1996-01-02 | — | — | US | disclosed |
| EP-0570091-A1 | Anthraquinone derivatives, process for their preparation and their use as medicaments | LILLY INDUSTRIES LIMITED (GB) | 1993-11-18 | — | — | EP | disclosed |