Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 8/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | HTR1E | P28566 | 1/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9202516 | 0.91 | MAPT (0.52) | AKR1C3AKR1C2AKR1C1NPC1RAB9A | |
| SCHEMBL27319023 | 0.84 | AKR1C3 (0.74) | AKR1C3AKR1C2AKR1C1NPC1RAB9A | |
| SCHEMBL9205677 | 0.83 | SMN1; SMN2 (0.57) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL9199855 | 0.82 | KMT2A (0.50) | NPC1RAB9AMAPTLMNAHTR1E | |
| SCHEMBL8930039 | 0.81 | DHODH (0.56) | NPC1RAB9AMAPTLMNAHTR1E | |
| SCHEMBL9201876 | 0.80 | LMNA (0.43) | NPC1RAB9AMAPTLMNAHTR1E | |
| SCHEMBL8929781 | 0.79 | HPGD (0.58) | NPC1RAB9AMAPTLMNAHPGD | |
| SCHEMBL9201214 | 0.79 | NPC1 (0.54) | NPC1RAB9AMAPTLMNAHTR1E | |
| SCHEMBL6362855 | 0.78 | LMNA (0.50) | NPC1RAB9AMAPTLMNAHTR1E | |
| SCHEMBL9203140 | 0.78 | LMNA (0.48) | NPC1RAB9AMAPTLMNAHTR1E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497816-B1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD (CA) | 1995-05-17 | — | — | EP | claimed |
| EP-0497816-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. | UNIROYAL CHEMICAL LTD (CA) | 1992-08-12 | — | — | EP | claimed |
| WO-1991005761-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) | 1991-05-02 | — | — | WO | claimed |