Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16346563 | 0.86 | CTSL (0.46) | ALDH1A1GAANPC1RAB9AHDAC1 | |
| SCHEMBL16346499 | 0.86 | TRPV1 (0.38) | NPC1RAB9ALMNAMEN1KMT2A | |
| SCHEMBL16346744 | 0.86 | OGG1 (0.46) | ALDH1A1NPC1RAB9AMAPTHDAC1 | |
| SCHEMBL16346728 | 0.86 | POLB (0.47) | ALDH1A1GAANPC1RAB9AMAPT | |
| SCHEMBL16376235 | 0.86 | POLB (0.53) | GAANPC1RAB9AHDAC1HDAC6 | |
| SCHEMBL7252334 | 0.85 | TRPV1 (0.47) | — | |
| SCHEMBL18329186 | 0.84 | EPHX2 (0.40) | NPC1RAB9AHDAC6MEN1KMT2A | |
| SCHEMBL16346463 | 0.84 | PLK1 (0.49) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL13525247 | 0.82 | ANO1 (0.36) | NPC1RAB9AHDAC6LMNAMEN1 | |
| SCHEMBL16340916 | 0.80 | EPHX2 (0.50) | — |
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-2015000929-A1 | N-(1-CYANO-2-HYDROXY-1-METHYL-ETHYL)-4-(TRIFLUOROMETHYLSULFANYL)BENZAMIDE DERIVATIVES FOR USE AS NEMATOCIDAL DRUGS | Universität Zürich (CH) | 2015-01-08 | — | — | WO | disclosed |