Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2735032 | 0.93 | NOS2 (0.43) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL27808479 | 0.81 | KDM4E (0.42) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL4549115 | 0.79 | TSHR (0.35) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL31145750 | 0.77 | NOS3 (0.36) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL19506010 | 0.76 | GAA (0.35) | ALDH1A1LMNAPOLBGAAGFER | |
| SCHEMBL31553481 | 0.74 | TACR1 (0.35) | ALDH1A1LMNACHRM1SLC6A2ADRA1A | |
| SCHEMBL20706615 | 0.74 | HTT (0.37) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL2155116 | 0.74 | ALDH1A1 (0.38) | ALDH1A1TSHRTRPA1LMNACHRM1 | |
| SCHEMBL461449 | 0.74 | CA1 (0.55) | NOS2NOS3NOS1ALDH1A1TSHR | |
| SCHEMBL101727 | 0.73 | DHFR (0.41) | ALDH1A1TSHRPOLBGAAGFER |
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 |
|---|---|---|---|---|---|---|---|
| US-4568744-A | ANTIBACTERICIDES AND DIRUETIC INTERMEDIATES | BURROUGHS WELLCOME CO. (US) | 1986-02-04 | — | — | US | disclosed |