Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.63 |
| ▸ | NPC1 | O15118 | 8/20 | 0.63 |
| ▸ | PKM | P14618 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | FLT3 | P36888 | 1/20 | 0.54 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29655221 | 0.83 | NPC1 (0.66) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL17266541 | 0.83 | NPC1 (0.66) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL29018750 | 0.80 | RAB9A (0.61) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL1011540 | 0.79 | RAB9A (0.59) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL31286005 | 0.79 | RAB9A (0.59) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL23012307 | 0.79 | GAA (0.61) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL20448089 | 0.79 | RAB9A (0.59) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL210535 | 0.79 | RAB9A (0.70) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL9750118 | 0.78 | NPC1 (0.81) | RAB9ANPC1PKMGAAMEN1 | |
| SCHEMBL30565139 | 0.78 | RAB9A (1.00) | RAB9ANPC1PKMGAAMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5464617-A | 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1995-11-07 | — | — | US | claimed |
| EP-0671401-A1 | Beta lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-13 | — | — | EP | claimed |
| US-5494666-A | BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| US-5464617-A | 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0671401-A1 | Beta lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-13 | — | — | EP | disclosed |