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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 5/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TERT | O14746 | 5/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL105467 | 0.91 | KDM5A (0.48) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| SCHEMBL8204357 | 0.88 | KDM5A (0.47) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| Hydrochloric Acid SCHEMBL866233 | 0.88 | KDM5A (0.47) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| SCHEMBL11587066 | 0.88 | KDM5A (0.47) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| SCHEMBL30381417 | 0.86 | KDM5A (0.46) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| SCHEMBL6560988 | 0.85 | KDM5A (0.53) | KDM5AKDM4CALDH1A1ALDH2FFAR3 | |
| SCHEMBL8988089 | 0.83 | KDM5A (0.52) | KDM5AKDM4CALDH1A1ALDH2FFAR3 | |
| SCHEMBL10280891 | 0.79 | TDP1 (0.52) | KDM5AKDM4CPAOXALDH1A1ALDH2 | |
| SCHEMBL3200406 | 0.79 | KDM5A (0.53) | KDM5AKDM4CALDH1A1ALDH2FFAR3 | |
| SCHEMBL10800701 | 0.77 | KDM5A (0.47) | KDM5AKDM4CPAOXALDH1A1ALDH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0419653-A4 | DERIVATIVES OF TAXOL, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THE PREPARATION THEREOF | — | 1991-12-04 | — | — | EP | disclosed |
| EP-0419653-A1 | DERIVATIVES OF TAXOL, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THE PREPARATION THEREOF | THE UNIVERSITY OF KANSAS (US) | 1991-04-03 | — | — | EP | disclosed |
| US-4960790-A | ANTITUMOR AGENTS, WATER SOLUBLE | UNIVERSITY OF KANSAS (US) | 1990-10-02 | — | — | US | disclosed |
| WO-1990010443-A1 | DERIVATIVES OF TAXOL, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THE PREPARATION THEREOF | UNIVERSITY OF KANSAS (US) | 1990-09-20 | — | — | WO | disclosed |