Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5129494 | 0.96 | ESR1 (0.47) | ESR1GAACHRM4RXFP1TSHR | |
| SCHEMBL7171683 | 0.93 | PDE5A (0.46) | ESR1GAACHRM4RXFP1PDE5A | |
| SCHEMBL7176322 | 0.90 | TSHR (0.45) | ESR1GAACHRM4TSHRTNF | |
| SCHEMBL5130592 | 0.89 | BCDIN3D (0.48) | ESR1GAACHRM4RXFP1PDE5A | |
| SCHEMBL5131031 | 0.87 | TSHR (0.48) | ESR1GAACHRM4TSHRTNF | |
| SCHEMBL7175621 | 0.85 | GAA (0.47) | ESR1GAARXFP1LMNASMN1; SMN2 | |
| SCHEMBL7176456 | 0.83 | PDE5A (0.46) | ESR1CHRM4PDE5A | |
| SCHEMBL7167188 | 0.82 | GAA (0.50) | ESR1GAACHRM4RXFP1LMNA | |
| SCHEMBL7513169 | 0.82 | CHRM4 (0.40) | GAACHRM4RXFP1TSHRTNF | |
| SCHEMBL5808228 | 0.82 | POLB (0.44) | CHRM4TNFNOD1BCHEACHE |
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-0920431-B1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2003-02-26 | — | — | EP | disclosed |