Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5407009 | 0.98 | RAB9A (0.49) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL5407015 | 0.98 | RAB9A (0.49) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL29645969 | 0.87 | CYP2C19 (0.47) | ALDH1A1POLBCYP2C19 | |
| SCHEMBL30392344 | 0.87 | CA12 (0.51) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL1726101 | 0.84 | TSHR (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6138380 | 0.84 | TSHR (0.59) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3594497 | 0.83 | CA12 (0.54) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL16451034 | 0.81 | RAB9A (0.51) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL17152580 | 0.81 | NPC1 (0.47) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL9911466 | 0.81 | RAB9A (0.54) | NPC1CA12CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | claimed |
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |