Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | TNKS2 | Q9H2K2 | 5/20 | 0.43 |
| ▸ | GUSB | P08236 | 4/20 | 0.43 |
| ▸ | TNKS | O95271 | 3/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Benzoylenurea SCHEMBL29407209 | 0.78 | KDM4E (1.00) | PARP1KDM4ECA12CA9TNKS2 | |
| Benzoylenurea SCHEMBL37945 | 0.78 | KDM4E (1.00) | PARP1KDM4ECA12CA9TNKS2 | |
| SCHEMBL29389300 | 0.78 | MAOA (0.56) | KDM4ELMNAKMT2AALDH1A1HSD17B10 | |
| SCHEMBL92707 | 0.78 | MAOA (0.56) | KDM4ELMNAKMT2AALDH1A1HSD17B10 | |
| Benzoylenurea SCHEMBL5072763 | 0.76 | KDM4E (0.95) | PARP1KDM4ECA12CA9TNKS2 | |
| Benzoylenurea SCHEMBL29722891 | 0.76 | KDM4E (0.95) | PARP1KDM4ECA12CA9TNKS2 | |
| Benzoylenurea SCHEMBL30526893 | 0.76 | KDM4E (0.95) | PARP1KDM4ECA12CA9TNKS2 | |
| Bicarbonate SCHEMBL11023181 | 0.74 | MAOA (0.48) | KDM4EPDE10AKMT2AALDH1A1MEN1 | |
| Benzoylenurea SCHEMBL10765540 | 0.74 | KDM4E (0.91) | PARP1KDM4ECA12CA9TNKS2 | |
| Benzoylenurea SCHEMBL28539125 | 0.73 | PARP1 (0.81) | PARP1KDM4ECA12CA9TNKS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147091-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043371-A2 | FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |