Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL308290 | 0.89 | ALDH1A1 (0.63) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7355501 | 0.89 | ALDH1A1 (0.63) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL234454 | 0.88 | LMNA (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16945695 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8891764 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11388818 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8775653 | 0.85 | LMNA (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL550351 | 0.85 | NPC1 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6951680 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7649299 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1112125-A | Acyloxyhexanoic acid derivatives | CIBA GEIGY AG (CH) | 1995-11-22 | — | — | CN | disclosed |