Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9407970 | 0.87 | SPHK1 (0.44) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10102734 | 0.77 | HDAC8 (0.65) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27007632 | 0.76 | SLC18A3 (0.50) | RAB9ANPC1PLAT | |
| Hydrochloric Acid SCHEMBL9407977 | 0.75 | GLS (0.40) | S1PR1S1PR3S1PR5P2RY14 | |
| SCHEMBL9408133 | 0.72 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9407927 | 0.71 | NPC1 (0.50) | RAB9AS1PR1S1PR5NPC1ALDH1A1 | |
| SCHEMBL4182528 | 0.71 | KDM4E (0.54) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL561946 | 0.68 | NR1H4 (0.69) | NR1H4HDAC8RAB9ANPC1MEN1 | |
| Hydrochloric Acid SCHEMBL9409570 | 0.68 | ITGB3 (0.52) | — | |
| SCHEMBL9407907 | 0.66 | ALDH1A1 (0.44) | ALDH1A1PLATMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1097753-A | 5-membered heterocycles, preparation method and the pharmaceutical composition that contains these compounds | THOMAE GMBH DR K (DE) | 1995-01-25 | — | — | CN | disclosed |
| EP-0608858-A1 | 5-Membered heterocycles as aggregation inhibitors | Dr. Karl Thomae GmbH (DE) | 1994-08-03 | — | — | EP | disclosed |