Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL95864 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| SCHEMBL30255416 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| SCHEMBL530340 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| 2-Nitroanisole SCHEMBL29434934 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| 2-Nitroanisole SCHEMBL20328416 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| 2-Nitroanisole SCHEMBL186551 | 0.75 | ALDH1A1 (1.00) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| SCHEMBL39472 | 0.74 | HPGD (0.78) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| SCHEMBL27952716 | 0.74 | ALDH1A1 (0.63) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| SCHEMBL1342303 | 0.74 | ALDH1A1 (0.63) | ALDH1A1TDP1RAB9ANPC1RECQL | |
| 2-Nitroanisole SCHEMBL30612723 | 0.73 | ALDH1A1 (0.96) | ALDH1A1TDP1RAB9ANPC1RECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-3931029-A | CYCLOHEXENE CARBOXYLIC ACIDS OR AMIDES | BASF WYANDOTTE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |