Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1S | P09871 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2090387 | 0.81 | C1S (0.50) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL22306048 | 0.71 | C1S (0.44) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5735423 | 0.70 | C1S (0.50) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5735430 | 0.70 | C1S (0.50) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8282535 | 0.70 | C1S (0.50) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL18567473 | 0.69 | C1S (0.50) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16962938 | 0.69 | C1S (0.54) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL19157830 | 0.67 | PARP1 (0.63) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28143826 | 0.67 | PARP1 (0.57) | C1SPARP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL749086 | 0.66 | C1S (0.56) | C1SPARP1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2697210-B1 | 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |