Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | IL6 | P05231 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2437918 | 0.88 | NPC1 (0.56) | NPC1ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL7429665 | 0.82 | NPC1 (0.53) | KDM4ENPC1ALDH1A1RAB9AGAA | |
| SCHEMBL7657273 | 0.80 | EPHX2 (0.49) | KDM4EALDH1A1HDAC6MAPK1POLB | |
| SCHEMBL6614738 | 0.80 | HDAC6 (0.53) | NPC1ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL11640477 | 0.80 | CSNK1D (0.49) | NPC1ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL6165048 | 0.80 | ALDH1A1 (0.41) | KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL6170579 | 0.79 | ITGB3 (0.39) | KDM4ENPC1ALDH1A1RAB9APOLB | |
| SCHEMBL14626860 | 0.79 | NPC1 (0.54) | NPC1ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL6593703 | 0.78 | HDAC6 (0.62) | KDM4ENPC1ALDH1A1RAB9AGAA | |
| SCHEMBL6164392 | 0.78 | FAAH (0.34) | KDM4EFAAHNPC1ALDH1A1RAB9A |
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 |