Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844742 | 0.81 | CA12 (0.47) | CTSSCTSKATMKMT2A | |
| SCHEMBL17844739 | 0.81 | CA12 (0.47) | CTSSCTSKATMKMT2A | |
| SCHEMBL27443681 | 0.74 | CTSS (0.48) | CTSSCTSKATMTDP1NQO2 | |
| SCHEMBL17595169 | 0.72 | TDP1 (0.53) | ATMTDP1KMT2AMEN1KDM4E | |
| SCHEMBL1579453 | 0.72 | NQO2 (0.75) | CTSSCTSKNQO2MTNR1A | |
| SCHEMBL3180198 | 0.72 | ATM (0.53) | CTSSCTSKATMTDP1NQO2 | |
| SCHEMBL9395412 | 0.72 | NQO2 (0.51) | CTSSCTSKATMTDP1NQO2 | |
| SCHEMBL4600435 | 0.72 | CTSS (0.76) | CTSSCTSKCYP3A4 | |
| SCHEMBL4122289 | 0.72 | CTSS (0.76) | CTSSCTSKCYP3A4 | |
| SCHEMBL29401990 | 0.72 | CTSS (0.76) | CTSSCTSKCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101163685-A | Pharmaceutically active diazepanes | NOVARTIS AG NOVARTIS PHARMA GM (CH) | 2008-04-16 | — | — | CN | disclosed |
| CN-100378096-C | Diazepanes derivatives useful as LFA inhibitors | NOVARTIS AG (CH) | 2008-04-02 | — | — | CN | disclosed |
| CN-1735609-A | Diazepan derivatives useful as LFA inhibitors | NOVARTIS AG (CH) | 2006-02-15 | — | — | CN | disclosed |