Paclitaxel

Paclitaxel

SCHEMBL177944

CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O.CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Paclitaxel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A known ✓ P04350 3/20 1.00
TUBB known ✓ P07437 3/20 1.00
TUBA3C known ✓ P0DPH7 3/20 1.00
TUBA1B known ✓ P68363 3/20 1.00
TUBA4A known ✓ P68366 3/20 1.00
TUBB4B known ✓ P68371 3/20 1.00
TUBB3 known ✓ Q13509 3/20 1.00
TUBB2A known ✓ Q13885 3/20 1.00
TUBB8 known ✓ Q3ZCM7 3/20 1.00
TUBA3E known ✓ Q6PEY2 3/20 1.00
TUBA1A known ✓ Q71U36 3/20 1.00
TUBA1C known ✓ Q9BQE3 3/20 1.00
TUBB6 known ✓ Q9BUF5 3/20 1.00
TUBB2B known ✓ Q9BVA1 3/20 1.00
TUBB1 known ✓ Q9H4B7 3/20 1.00
NPC1 O15118 8/20 1.00
RAB9A P51151 7/20 1.00
USP2 O75604 2/20 1.00
HIF1A Q16665 2/20 1.00
MEN1 O00255 2/20 1.00

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.

Compoundsimilaritytop predictedshared targets
Paclitaxel SCHEMBL13622863 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL15590870 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL759366 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL12929005 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760447 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL18389589 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL23760443 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL10122072 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL13241436 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C
Paclitaxel SCHEMBL22149786 1.00 NPC1 (1.00) NPC1RAB9ATUBB4ATUBBTUBA3C

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

Appears in 3531 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324968-B1 THERAPEUTIC COMBINATIONS OF ORALLY ADMINISTERED PACLITAXEL AND A P-GP INHIBITOR FOR THE TREATMENT OF CANCER ATHENEX THERAPEUTICS LTD (CN) 2023-09-27 EP claimed
WO-2023141560-A2 ALKALINE PHOSPHATASE FOR USE IN ONCOLOGY SYNTHETIC BIOLOGICS, INC. (US) 2023-07-27 WO claimed
CN-115317451-A Cel-CSO/Taxol NPs nano-medicine and application thereof 河南中医药大学 2022-11-11 CN claimed
US-20220298252-A1 METHODS OF TREATING CANCER USING TNFRSF25 ANTIBODIES PELICAN THERAPEUTICS, INC. 2022-09-22 US claimed
EP-4021494-A1 METHODS OF TREATING CANCER USING TNFRSF25 ANTIBODIES Pelican Therapeutics, Inc. (US) 2022-07-06 EP claimed
US-20220185863-A1 COMBINATION THERAPIES SHATTUCK LABS, INC. 2022-06-16 US claimed
CN-114502195-A Methods of treating cancer using TNFRSF25 antibodies 派立卡恩治疗公司 2022-05-13 CN claimed
WO-2022081521-A1 INOSITOL-BISPYROPHOSPHATE-DERIVED COMPOUNDS AND USES THEREOF NICOLAU YVES CLAUDE (US) 2022-04-21 WO claimed
EP-3930851-A1 COMBINATION THERAPIES Shattuck Labs, Inc. (US) 2022-01-05 EP claimed
CN-113747947-A Combination therapy 沙塔克实验室有限公司 2021-12-03 CN claimed
CN-101961484-A Prostate secretory protein 94/57 (Psp94/57), analogous polypeptides thereof for preparing medicaments for eliminating drug (therapy) resistance of tumor, and application thereof LIU JINLONG 2011-02-02 CN claimed
US-20100330147-A1 Drug Delivery Compositions Including Nanoshells For Triggered Drug Release ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2010-12-30 US claimed
CN-101785880-A Blood vessel bracket utilizing titanium oxide nanotube to load medicine UNIV SOUTHEAST 2010-07-28 CN claimed
US-7714139-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDCIAL RESEARCH (US) 2010-05-11 US claimed
CN-100490850-C Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN NINGBO YINGNUO PHARMACE (CN) 2009-05-27 CN claimed
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
EP-1159974-B1 Anti-angiogenic compositions containing taxol and a non-biodegradable carrier and their use ANGIOTECH PHARM INC (CA) 2007-07-18 EP claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 CN claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 CN claimed
CN-1557507-A Re-stricture preventing medicinal sustained releasing bracket and its preparation 东南大学 2004-12-29 CN claimed