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Sugi Predict / Compounds / Vincristine

Vincristine

Vincristine

SCHEMBL2946485

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O.O=S(=O)(O)O

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 Vincristine. 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 6/20 0.97
▸ TUBB known ✓ P07437 6/20 0.97
▸ TUBA3C known ✓ P0DPH7 6/20 0.97
▸ TUBA1B known ✓ P68363 6/20 0.97
▸ TUBA4A known ✓ P68366 6/20 0.97
▸ TUBB4B known ✓ P68371 6/20 0.97
▸ TUBB3 known ✓ Q13509 6/20 0.97
▸ TUBB2A known ✓ Q13885 6/20 0.97
▸ TUBB8 known ✓ Q3ZCM7 6/20 0.97
▸ TUBA3E known ✓ Q6PEY2 6/20 0.97
▸ TUBA1A known ✓ Q71U36 6/20 0.97
▸ TUBA1C known ✓ Q9BQE3 6/20 0.97
▸ TUBB6 known ✓ Q9BUF5 6/20 0.97
▸ TUBB2B known ✓ Q9BVA1 6/20 0.97
▸ TUBB1 known ✓ Q9H4B7 6/20 0.97
▸ MAPT P10636 8/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ LMNA P02545 6/20 1.00
▸ HIF1A Q16665 5/20 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
Vincristine SCHEMBL3998 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4640472 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4709855 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL18398051 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL3710 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL29519343 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL29895946 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4742962 0.99 MAPT (0.98) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL18402663 0.98 LMNA (1.00) MAPTMEN1KMT2ALMNAHIF1A
Vincristine SCHEMBL4769981 0.98 LMNA (1.00) MAPTMEN1KMT2ALMNAHIF1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539216-B2 Multi-phase, multi-compartment, capsular delivery apparatus and methods for using same INNERCAP TECHNOLOGIES, INC. (US) 2017-01-10 — — US disclosed
US-20160136100-A1 MULTI-PHASE, MULTI-COMPARTMENT, CAPSULAR DELIVERY APPARATUS AND METHODS FOR USING SAME INNERCAP TECHNOLOGIES, INC. 2016-05-19 — — US disclosed
US-9241911-B2 Multi-phase, multi-compartment, capsular delivery apparatus and methods for using same INNERCAP TECHNOLOGIES, INC. 2016-01-26 — — US disclosed
US-20140212482-A1 MULTI-PHASE, MULTI-COMPARTMENT, CAPSULAR DELIVERY APPARATUS AND METHODS FOR USING SAME INNERCAP TECHNOLOGIES, INC. 2014-07-31 — — US disclosed
US-7670612-B2 Supplying active materials in various phases in single dosage multicompartment capsule INNERCAP TECHNOLOGIES, INC. (US) 2010-03-02 — — US disclosed
EP-1951221-A1 USE OF ANGELOYL-SUBSTITUTED INGENANES IN COMBINATION WITH OTHER AGENTS TO TREAT CANCER Peplin Research Pty Ltd. (AU) 2008-08-06 — — EP disclosed
WO-2007053912-A1 USE OF ANGELOYL-SUBSTITUTED INGENANES IN COMBINATION WITH OTHER AGENTS TO TREAT CANCER PEPLIN RESEARCH PTY LTD (AU) 2007-05-18 — — WO disclosed