Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5206469 | 0.80 | POLB (0.50) | ALDH1A1TDP1GAA | |
| SCHEMBL5191020 | 0.75 | SMN1; SMN2 (0.43) | KMT2ACYP2C19 | |
| SCHEMBL5193832 | 0.72 | FABP6 (0.46) | KMT2AALDH1A1MAPK1TDP1FABP6 | |
| SCHEMBL27402749 | 0.71 | SMN1; SMN2 (0.46) | KMT2AALDH1A1MAPK1FABP6CHRNB2 | |
| SCHEMBL5192328 | 0.70 | TDP1 (0.52) | KMT2AALDH1A1TDP1 | |
| SCHEMBL27401275 | 0.70 | ALDH1A1 (0.44) | KMT2AALDH1A1FABP6CHRNB2CHRNB4 | |
| SCHEMBL5281219 | 0.69 | ALDH1A1 (0.49) | KMT2AALDH1A1MAPK1CYP2C19CTSL | |
| SCHEMBL27411591 | 0.69 | FABP6 (0.47) | KMT2AALDH1A1MAPK1TDP1FABP6 | |
| SCHEMBL5206464 | 0.68 | POLB (0.51) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL5190965 | 0.68 | CHRNB2 (0.51) | KMT2AALDH1A1MAPK1GAACHRNB2 |
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-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |