Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723164 | 0.94 | S1PR5 (0.41) | S1PR5S1PR1S1PR3 | |
| SCHEMBL9723176 | 0.93 | S1PR5 (0.43) | TP53S1PR5S1PR1S1PR3 | |
| SCHEMBL9723248 | 0.93 | S1PR5 (0.43) | TP53S1PR5S1PR1S1PR3 | |
| SCHEMBL9419280 | 0.93 | S1PR5 (0.38) | TP53S1PR5PKMMEN1HTT | |
| SCHEMBL9419254 | 0.91 | TRPV1 (0.42) | TP53PKMMEN1HTTKMT2A | |
| SCHEMBL9419259 | 0.85 | TP53 (0.39) | LMNATP53S1PR5PKMMEN1 | |
| SCHEMBL9419348 | 0.85 | TP53 (0.39) | TP53S1PR5PKMMEN1HTT | |
| SCHEMBL4593881 | 0.84 | ESR1 (0.40) | TRPV1 | |
| SCHEMBL4593883 | 0.84 | ESR1 (0.40) | TRPV1 | |
| SCHEMBL9562068 | 0.83 | RIPK1 (0.36) | TRPV1 |
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-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| EP-0363458-A1 | 2,3-DIFLUOROBENZENES. | MERCK PATENT GMBH (DE) | 1990-04-18 | — | — | EP | disclosed |
| WO-1989008629-A1 | PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |