Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3738409 | 0.77 | HCAR3 (0.33) | ALDH1A1HCAR3NPC1RAB9AKMT2A | |
| SCHEMBL3664466 | 0.76 | KCNH2 (0.45) | ALDH1A1HCAR3NPC1 | |
| SCHEMBL27833168 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HCAR3NPC1RAB9AMEN1 | |
| SCHEMBL21678138 | 0.73 | NPC1 (0.43) | ALDH1A1HCAR3NPC1TDP1RAB9A | |
| SCHEMBL3660964 | 0.73 | PTK2 (0.57) | NPC1TDP1RAB9AKMT2A | |
| SCHEMBL211249 | 0.72 | RAB9A (0.55) | ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL13403362 | 0.72 | PTGS1 (0.41) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL20271757 | 0.72 | DEGS1 (0.45) | — | |
| SCHEMBL2322411 | 0.72 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL183711 | 0.72 | L3MBTL1 (0.55) | ALDH1A1NPC1NPSR1TDP1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014023814-A1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN R&D IRELAND (IE) | 2014-02-13 | — | — | WO | disclosed |
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |