Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 8/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.35 |
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 | 0.97 | S1PR5 (0.41) | S1PR5PPARGCNR1CNR2S1PR1 | |
| SCHEMBL9723248 | 0.96 | S1PR5 (0.43) | S1PR5TP53CNR1CNR2S1PR1 | |
| SCHEMBL9723176 | 0.96 | S1PR5 (0.43) | S1PR5TP53CNR1CNR2S1PR1 | |
| SCHEMBL9419296 | 0.93 | LMNA (0.38) | S1PR5TP53PKMS1PR1MEN1 | |
| SCHEMBL9419254 | 0.89 | TRPV1 (0.42) | TP53PKMMEN1HTTKMT2A | |
| SCHEMBL4593881 | 0.87 | ESR1 (0.40) | PPARGCNR1CNR2PTGESALOX5 | |
| SCHEMBL4593883 | 0.87 | ESR1 (0.40) | PPARGCNR1CNR2PTGESALOX5 | |
| SCHEMBL9406079 | 0.83 | GAA (0.39) | PPARGTP53CNR1CNR2PTGES | |
| SCHEMBL9406074 | 0.83 | GAA (0.39) | PPARGTP53CNR1CNR2PTGES | |
| SCHEMBL9419259 | 0.83 | TP53 (0.39) | S1PR5TP53CNR2PKMMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0363458-B1 | 2,3-DIFLUOROBENZENES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |