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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.44 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.30 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.30 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL172237 | 0.89 | HTR2A (0.52) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL10207211 | 0.89 | HTR2A (0.52) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL304130 | 0.89 | HTR2A (0.52) | HTR2AHRH1PGRADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL4356665 | 0.86 | HTR2A (0.50) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL10064563 | 0.76 | ADRA2A (0.41) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL17636225 | 0.76 | ADRA2A (0.41) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL3200413 | 0.76 | HTR2A (0.41) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL7904494 | 0.76 | HTR2A (0.41) | HTR2AHRH1PGRADRA2AADRA2B | |
| SCHEMBL15798827 | 0.75 | TP53 (0.35) | PMP22TP53 | |
| SCHEMBL5027762 | 0.75 | FDPS (0.36) | HTR2AHRH1PGRADRA2AADRA2B |
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 |