Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974820 | 0.74 | MEN1 (0.51) | ITGB3ITGA2BATMTDP1CTSS | |
| SCHEMBL7700364 | 0.74 | MEN1 (0.51) | ITGB3ITGA2BATMTDP1CTSS | |
| SCHEMBL25550092 | 0.73 | TDP1 (0.47) | KLK7KLK5HDAC1HDAC4HDAC6 | |
| SCHEMBL15304537 | 0.73 | MEN1 (0.52) | KLK7KLK5ATMTDP1CTSS | |
| SCHEMBL5024804 | 0.72 | MEN1 (0.55) | KLK7KLK5ATMTDP1CTSS | |
| SCHEMBL18519842 | 0.72 | ITGB3 (0.51) | ITGB3ITGA2BKLK7KLK5HDAC1 | |
| SCHEMBL7977032 | 0.72 | CYP1A2 (0.41) | KLK7KLK5ATMTDP1CTSS | |
| SCHEMBL7976998 | 0.71 | CTSK (0.49) | ITGB3ITGA2BHDAC1HDAC4HDAC6 | |
| SCHEMBL14820488 | 0.71 | TDP1 (0.50) | KLK7KLK5ATMTDP1CTSS | |
| SCHEMBL7963473 | 0.69 | CTSS (0.45) | HDAC1HDAC4HDAC6TDP1CTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |