Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL15051285 | 0.96 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Propanol SCHEMBL29101016 | 0.92 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Propanol SCHEMBL10010419 | 0.83 | — | — | |
| Propanol SCHEMBL27261540 | 0.83 | — | — | |
| Alcohol SCHEMBL3152337 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| Alcohol SCHEMBL28042036 | 0.79 | — | — | |
| Alcohol SCHEMBL9751774 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TSHR | |
| Propanol SCHEMBL1133211 | 0.78 | — | — | |
| Propanol SCHEMBL8328980 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 | |
| Propanol SCHEMBL15524986 | 0.78 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794604-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Galapagos NV (BE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013092791-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2013-06-27 | — | — | WO | disclosed |