Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 12/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538200 | 0.87 | APP (0.68) | APPCYP1A2ALDH1A1POLBMEN1 | |
| SCHEMBL9538736 | 0.83 | APP (0.66) | APPCYP1A2ALDH1A1RAB9APOLB | |
| Benzoic Acid SCHEMBL21043906 | 0.82 | APP (0.78) | APPCYP1A2ALDH1A1POLBMEN1 | |
| SCHEMBL19627052 | 0.81 | APP (0.64) | APPCYP1A2ALDH1A1POLBKDM4E | |
| SCHEMBL19627048 | 0.81 | APP (0.56) | APPCYP1A2ALDH1A1RAB9AKDM4E | |
| Pyridine SCHEMBL8601041 | 0.79 | APP (0.54) | APPCYP1A2ALDH1A1POLBMEN1 | |
| SCHEMBL563608 | 0.79 | APP (0.63) | APPCYP1A2ALDH1A1RAB9APOLB | |
| Acetic Acid SCHEMBL233001 | 0.79 | APP (0.59) | APPCYP1A2ALDH1A1RAB9APOLB | |
| SCHEMBL9749591 | 0.78 | APP (0.59) | APPCYP1A2LMNAHPGD | |
| SCHEMBL8067 | 0.77 | APP (0.65) | APPCYP1A2ALDH1A1RAB9APOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE40387-E1 | Pharmaceutical compositions, dosage forms and methods for oral administration of epothilones | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-17 | — | — | US | disclosed |
| US-6576651-B2 | Such as (1S-(1R*,3R*(E),7R*,10S*,11R*,16S*))-7,11-dihydroxy 8,8,10,12,16-pentamethyl-3-(1-methyl-2-(2-methyl-4-thiazolyl) ethenyl-17-oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione; bioavailability | BRISTOL-MYERS SQUIBB COMPANY | 2003-06-10 | — | — | US | disclosed |
| WO-2002058699-A1 | PHARMACEUTICAL FORMS OF EPOTHILONES FOR ORAL ADMINISTRATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-01 | — | — | WO | disclosed |