Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FABP1 | P07148 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657273 | 0.85 | EPHX2 (0.49) | HDAC6EPHX2MAPK1TSHRALDH1A1 | |
| SCHEMBL7668364 | 0.80 | HDAC6 (0.38) | HDAC6EPHX2MAPK1TSHRALDH1A1 | |
| SCHEMBL6597373 | 0.77 | HDAC6 (0.42) | HDAC6MAPT | |
| SCHEMBL6597368 | 0.77 | NPC1 (0.47) | HDAC6MAPK1TSHRMAPTALDH1A1 | |
| SCHEMBL6598330 | 0.76 | P2RY14 (0.49) | HDAC6EPHX2KMT2A | |
| SCHEMBL3866405 | 0.76 | RAB9A (0.45) | HDAC6MAPTALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL6592188 | 0.74 | CYSLTR1 (0.44) | HDAC6MAPTTLR9KMT2A | |
| SCHEMBL7665064 | 0.73 | LCK (0.48) | MAPTALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL6594493 | 0.71 | HDAC6 (0.52) | HDAC6EPHX2KMT2A | |
| SCHEMBL7659834 | 0.71 | KDM4E (0.52) | HDAC6MAPK1MAPTALDH1A1NAMPT |
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-1144393-A3 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | AstraZeneca AB (SE) | 2002-09-11 | — | — | EP | disclosed |
| US-6441012-B1 | BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR | ASTRAZENECA AB (SE) | 2002-08-27 | — | — | US | disclosed |
| EP-1144393-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | AstraZeneca AB (SE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000005224-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |