Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419335 | 0.93 | CNR2 (0.39) | TP53PKMKMT2AHTTMEN1 | |
| SCHEMBL9419267 | 0.93 | CYP1A2 (0.39) | TP53PKMKMT2AHTTMEN1 | |
| SCHEMBL9419283 | 0.92 | CNR2 (0.41) | TP53KMT2AHTTMEN1MAPT | |
| SCHEMBL9419348 | 0.88 | TP53 (0.39) | TP53PKMKMT2AHTTMEN1 | |
| SCHEMBL9419254 | 0.85 | TRPV1 (0.42) | TP53PKMKMT2AHTTMEN1 | |
| SCHEMBL9419296 | 0.85 | LMNA (0.38) | TP53PKMKMT2AHTTMEN1 | |
| SCHEMBL10335525 | 0.84 | BID (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19MAPT | |
| SCHEMBL9723164 | 0.84 | S1PR5 (0.41) | S1PR5CNR2 | |
| SCHEMBL9723176 | 0.83 | S1PR5 (0.43) | TP53S1PR5CNR2 | |
| SCHEMBL9723248 | 0.83 | S1PR5 (0.43) | TP53S1PR5CNR2 |
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 |