Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.74 |
| ▸ | CA9 | Q16790 | 6/20 | 0.74 |
| ▸ | CA1 | P00915 | 4/20 | 0.74 |
| ▸ | CA2 | P00918 | 2/20 | 0.74 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | IL2 | P60568 | 2/20 | 0.54 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | GLA | P06280 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CASP7 | P55210 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6228083 | 0.89 | CA12 (0.74) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL3366849 | 0.88 | CA12 (0.71) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL3361018 | 0.85 | CA12 (0.70) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL15745917 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL10048269 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL1526661 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL145332 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL755988 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL165912 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 | |
| SCHEMBL152641 | 0.85 | CA12 (1.00) | CA12CA9CA1CA2NPC1 |
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-2408783-A2 | BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES | University Of Nottingham (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106347-A2 | BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES | UNIVERSITY OF NOTTINGHAM (GB) | 2010-09-23 | — | — | WO | disclosed |