Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865866 | 0.94 | CYP3A4 (0.46) | CYP3A4GBA1KDM4ENPC1RAB9A | |
| SCHEMBL8866560 | 0.94 | KDM4E (0.41) | CYP3A4KDM4ENPC1RAB9AADORA3 | |
| SCHEMBL8866641 | 0.92 | CYP3A4 (0.47) | CYP3A4GBA1KDM4ENPC1RAB9A | |
| SCHEMBL8866523 | 0.89 | RAB9A (0.43) | KDM4ENPC1RAB9AHDAC10HDAC6 | |
| SCHEMBL8866926 | 0.87 | CYP3A4 (0.47) | CYP3A4GBA1KDM4EHDAC3HDAC1 | |
| SCHEMBL8866095 | 0.87 | KDM4E (0.41) | CYP3A4KDM4ENPC1RAB9AADORA3 | |
| SCHEMBL8866716 | 0.85 | SMN1; SMN2 (0.37) | KDM4ENPC1RAB9AHDAC3HDAC1 | |
| SCHEMBL8866808 | 0.84 | SUCNR1 (0.41) | KDM4ENPC1RAB9ASUV39H2TP53 | |
| SCHEMBL8866704 | 0.83 | SLC7A5 (0.36) | CYP3A4KDM4ENPC1RAB9AHDAC3 | |
| SCHEMBL8866565 | 0.81 | KDM4E (0.40) | KDM4ENPC1RAB9AMAPTTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |