Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3680781 | 1.00 | CA1 (0.57) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL3680778 | 1.00 | CA1 (0.57) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL7233591 | 0.85 | CA1 (0.54) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL5828117 | 0.85 | CA1 (0.54) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL7242401 | 0.85 | CA1 (0.54) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL9518846 | 0.85 | NPC1 (0.49) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL9518843 | 0.85 | NPC1 (0.49) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL20233630 | 0.84 | KMT2A (0.47) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL22031115 | 0.84 | CA1 (0.60) | CA1CA2CA7CA9NPC1 | |
| SCHEMBL20530493 | 0.84 | CA1 (0.60) | CA1CA2CA7CA9NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281352-B1 | ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY | 2001-08-28 | — | — | US | disclosed |
| EP-0863885-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997018207-A2 | NOVEL MACROCYCLIC COMPOUNDS AS METALLOPROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-05-22 | — | — | WO | disclosed |