Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.66 |
| ▸ | IDO1 | P14902 | 10/20 | 0.65 |
| ▸ | NOS1 | P29475 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | ALPG | P10696 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5045935 | 0.79 | IDO1 (1.00) | IDO1NOS1CYP1A2GAACYP2D6 | |
| SCHEMBL11591071 | 0.78 | NPC1 (0.55) | CYP1A2CYP2D6LMNAMEN1NPC1 | |
| SCHEMBL5450413 | 0.78 | NOS1 (1.00) | IDO1NOS1 | |
| Hydrochloric Acid SCHEMBL489767 | 0.77 | IDO1 (1.00) | IDO1NOS1CYP1A2GAACYP2D6 | |
| SCHEMBL17057778 | 0.77 | NPC1 (0.54) | CYP1A2CYP2D6LMNAMEN1NPC1 | |
| SCHEMBL17974320 | 0.76 | TP53 (0.56) | CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL9198797 | 0.76 | IDO1 (1.00) | IDO1NOS1 | |
| SCHEMBL11591078 | 0.75 | NPC1 (0.53) | CYP1A2CYP2D6LMNAMEN1NPC1 | |
| SCHEMBL9650651 | 0.75 | PRSS1 (0.81) | GAACYP2D6RAB9A | |
| SCHEMBL5373442 | 0.74 | NPC1 (0.54) | LMNAMEN1NPC1HTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2581451-A1 | Compounds for inhibiting mammalian s-nitrosoglutathione reductase | Indiana University Research and Technology Corporation (US) | 2013-04-17 | — | — | EP | disclosed |