Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GUSB | P08236 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11681042 | 0.82 | ALDH1A1 (0.61) | CA1CA2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL30513966 | 0.82 | ALDH1A1 (0.61) | CA1CA2CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL28868206 | 0.80 | HSD17B10 (0.39) | GUSBHSD17B10CA12CA1CA2 | |
| SCHEMBL28868397 | 0.80 | HSD17B10 (0.39) | GUSBHSD17B10CA12CA1CA2 | |
| SCHEMBL6456206 | 0.79 | CHRNA7 (0.59) | GUSBHSD17B10CA12CA1CA2 | |
| SCHEMBL7995109 | 0.78 | TSHR (0.38) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL21668146 | 0.78 | TYK2 (0.51) | ABCG2KMT2AP2RX7ALDH1A1MAOB | |
| SCHEMBL30513967 | 0.78 | TYK2 (0.51) | ABCG2KMT2AP2RX7ALDH1A1MAOB | |
| SCHEMBL201278 | 0.77 | ALDH1A1 (0.65) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL30442360 | 0.77 | ALDH1A1 (0.65) | HSD17B10CA12CA1CA2CA7 |
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-4018818-A | Hydroxyl-substituted 2-chloro-α-(tert-butylaminomethyl)-benzylalcohols | HOKURIKU PHARMACEUTICAL CO., LTD. (JA) | 1977-04-19 | — | — | US | disclosed |