Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | NCEH1 | Q6PIU2 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL799296 | 0.79 | NCEH1 (0.55) | NCEH1TSHRPKMNPC1RAB9A | |
| SCHEMBL10774367 | 0.76 | ACHE (0.51) | ACHENCEH1TSHRPKMNPC1 | |
| SCHEMBL11886645 | 0.74 | KDM4E (0.49) | PKM | |
| SCHEMBL16965115 | 0.73 | RAB9A (0.60) | NCEH1TSHRPKMNPC1RAB9A | |
| SCHEMBL13553399 | 0.72 | KDM4E (0.51) | TSHR | |
| SCHEMBL11799252 | 0.72 | RAB9A (0.47) | NCEH1TSHRPKMNPC1RAB9A | |
| SCHEMBL10574854 | 0.69 | ALDH1A1 (0.65) | ACHENCEH1TSHRPKMNPC1 | |
| SCHEMBL10244574 | 0.69 | KDM4E (0.48) | ACHETSHRPKMRAB9A | |
| SCHEMBL8058246 | 0.69 | HRH3 (0.57) | TSHR | |
| SCHEMBL29728586 | 0.68 | NCEH1 (0.54) | NCEH1TSHRPKMNPC1RAB9A |
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-1000051-A1 | CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999006390-A1 | CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |