Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7700364 | 0.80 | MEN1 (0.51) | CTSKCTSSTDP1ATMMEN1 | |
| SCHEMBL7974820 | 0.80 | MEN1 (0.51) | CTSKCTSSTDP1ATMMEN1 | |
| SCHEMBL7976998 | 0.75 | CTSK (0.49) | CTSKCTSSMEN1KMT2ACAPN1 | |
| SCHEMBL8193831 | 0.75 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL31758256 | 0.74 | TDP1 (0.61) | CTSKCTSSTDP1ATMMEN1 | |
| SCHEMBL15304537 | 0.74 | MEN1 (0.52) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL25550092 | 0.74 | TDP1 (0.47) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL5024804 | 0.73 | MEN1 (0.55) | CTSKCTSSTDP1ATMMEN1 | |
| SCHEMBL14820488 | 0.72 | TDP1 (0.50) | CTSKCTSSTDP1ATMMEN1 | |
| SCHEMBL16790735 | 0.72 | MEN1 (0.56) | CTSKCTSSTDP1ATMMEN1 |
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 |