Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738402 | 1.00 | NOS2 (0.43) | NOS2NOS3NOS1ATMTACR1 | |
| SCHEMBL7739255 | 0.83 | ATM (0.41) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL7739181 | 0.80 | NR1H2 (0.41) | NR1H2NR1H3 | |
| SCHEMBL7738429 | 0.79 | TAS1R3 (0.33) | NOS2NOS3NOS1ATMTACR1 | |
| SCHEMBL7738435 | 0.79 | TAS1R3 (0.33) | NOS2NOS3NOS1ATMTACR1 | |
| SCHEMBL18782427 | 0.78 | PPARG (0.51) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL15233717 | 0.78 | PPARG (0.51) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL2525916 | 0.78 | PPARG (0.51) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL7738440 | 0.77 | TACR1 (0.46) | TACR1ALDH1A1CYP2C9CYP2C19POLB | |
| SCHEMBL7738442 | 0.77 | TACR1 (0.46) | TACR1ALDH1A1CYP2C9CYP2C19POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |