Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA4 | P22748 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29121490 | 0.82 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2C19OPRK1NPC1RAB9A | |
| SCHEMBL16637186 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP2C19OPRK1NPC1RAB9A | |
| SCHEMBL28166666 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP2C19OPRK1NPC1RAB9A | |
| SCHEMBL5194848 | 0.78 | OPRK1 (0.46) | SMN1; SMN2CYP2C19OPRK1KMT2AALDH1A1 | |
| SCHEMBL4329419 | 0.76 | PDK1 (0.56) | SMN1; SMN2CYP2C19OPRK1NPC1RAB9A | |
| SCHEMBL5214033 | 0.75 | SIGMAR1 (0.49) | POLB | |
| SCHEMBL10681973 | 0.75 | SIGMAR1 (0.55) | MEN1KMT2AALDH1A1LMNAPOLB | |
| SCHEMBL5193908 | 0.74 | LMNA (0.42) | CYP2C19MEN1KMT2ANPSR1LMNA | |
| SCHEMBL29121531 | 0.73 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 | |
| SCHEMBL27806690 | 0.73 | ALDH1A1 (0.59) | SMN1; SMN2CYP2C19NPC1RAB9AMEN1 |
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 |