Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SPNS2 | Q8IVW8 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13527240 | 0.88 | CA12 (0.61) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL15923722 | 0.88 | CA12 (0.61) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL15060890 | 0.87 | CA12 (0.62) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL16220807 | 0.77 | MIF (0.62) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL25055363 | 0.76 | MIF (0.74) | CA1CA2MIF | |
| SCHEMBL2394519 | 0.75 | MIF (0.73) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL21157717 | 0.75 | MIF (0.58) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL13527035 | 0.75 | MIF (0.58) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL13527201 | 0.74 | TDP1 (0.65) | RAB9AL3MBTL1TDP1MEN1KMT2A | |
| SCHEMBL16220782 | 0.74 | MIF (0.63) | CA12CA1CA2CA9S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014118556-A2 | SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE | RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) | 2014-08-07 | — | — | WO | disclosed |