Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10686874 | 0.82 | BRD4 (0.41) | ALDH1A1TSHRMAPTCNR1CYP3A4 | |
| SCHEMBL6097343 | 0.81 | TSHR (0.44) | ALDH1A1AKR1C3AKR1C1TSHRCTSS | |
| SCHEMBL8764471 | 0.79 | TSHR (0.41) | ALDH1A1AKR1C3AKR1C1TSHRCTSS | |
| SCHEMBL1720075 | 0.79 | ALDH1A1 (0.49) | ALDH1A1AKR1C3AKR1C1TSHRCYP3A4 | |
| SCHEMBL11813692 | 0.78 | TSHR (0.52) | ALDH1A1AKR1C3AKR1C1TSHRTRPA1 | |
| SCHEMBL1019171 | 0.78 | TSHR (0.52) | ALDH1A1AKR1C3AKR1C1TSHRTRPA1 | |
| SCHEMBL409758 | 0.78 | POLB (0.50) | ALDH1A1HSP90AA1MAPTGPR55CYP3A4 | |
| SCHEMBL15268630 | 0.77 | CTSS (0.48) | ALDH1A1AKR1C3AKR1C1TSHRCTSS | |
| SCHEMBL6960576 | 0.76 | TSHR (0.50) | ALDH1A1AKR1C3AKR1C1TSHRTRPA1 | |
| Ammonia Solution, Strong SCHEMBL38661532 | 0.76 | TSHR (0.50) | ALDH1A1AKR1C3AKR1C1TSHRTRPA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4716237-A | Process for the production of 3-oxonitriles | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-12-29 | — | — | US | claimed |
| US-4728743-A | Process for the production of 3-oxonitriles | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-03-01 | — | — | US | disclosed |
| US-4716237-A | Process for the production of 3-oxonitriles | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1987-12-29 | — | — | US | disclosed |
| EP-0089011-B1 | PROCESS FOR THE PREPARATION OF 5-OXONITRILES | Degussa Aktiengesellschaft (DE) | 1985-07-10 | — | — | EP | disclosed |
| EP-0089011-A1 | Process for the preparation of 5-oxonitriles | Degussa Aktiengesellschaft (DE) | 1983-09-21 | — | — | EP | disclosed |