Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 3/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.34 |
| ▸ | PIK3R5 | Q8WYR1 | 3/20 | 0.34 |
| ▸ | PIK3R3 | Q92569 | 3/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9175434 | 0.95 | PIK3CD (0.34) | ALDH1A1PIK3CDPIK3R2PIK3CAPIK3CB | |
| SCHEMBL9173483 | 0.88 | IKBKB (0.38) | ALDH1A1LMNARIPK1KCNJ6KCNJ5 | |
| SCHEMBL9174770 | 0.88 | RIPK1 (0.40) | ALDH1A1LMNARIPK1KCNJ6KCNJ5 | |
| SCHEMBL9173066 | 0.86 | ALDH1A1 (0.41) | ALDH1A1LMNARIPK1KCNJ6KCNJ5 | |
| SCHEMBL9171874 | 0.84 | IKBKB (0.35) | ALDH1A1LMNARIPK1RAB9AIKBKB | |
| SCHEMBL9167849 | 0.84 | IKBKB (0.41) | ALDH1A1LMNARIPK1MAPTCNR1 | |
| SCHEMBL9167969 | 0.83 | IKBKB (0.43) | ALDH1A1LMNARIPK1KCNJ6KCNJ5 | |
| SCHEMBL9176088 | 0.83 | IKBKB (0.39) | ALDH1A1LMNARIPK1KCNJ6KCNJ5 | |
| SCHEMBL9173767 | 0.83 | PIK3CD (0.35) | ALDH1A1IKBKBPIK3CDPIK3R2PIK3CA | |
| SCHEMBL9171740 | 0.83 | PIK3CD (0.39) | ALDH1A1RIPK1KCNJ6KCNJ5KCNJ3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0422051-A1 | CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-04-17 | — | — | EP | disclosed |
| WO-1989012630-A1 | CONDENSED PYRAZOLE 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-12-28 | — | — | WO | disclosed |
| EP-0347773-A1 | Condensed Pyrazole 3-oxo-propanenitrile derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1989-12-27 | — | — | EP | disclosed |