Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.33 |
| ▸ | CDK9 | P50750 | 5/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.31 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL9419303 | 0.90 | ESR2 (0.33) | ESR2CCNT1CDK9NOTUMNPC1 | |
| SCHEMBL9419392 | 0.87 | RARB (0.34) | ESR2CCNT1CDK9 | |
| SCHEMBL9406310 | 0.86 | ESR2 (0.39) | ESR2CCNT1CDK9TRPV1 | |
| SCHEMBL9419284 | 0.86 | RARB (0.36) | ESR2 | |
| SCHEMBL9419253 | 0.83 | CCR2 (0.35) | NOTUM | |
| SCHEMBL9419292 | 0.81 | ESR2 (0.40) | ESR2CCNT1CDK9TSHR | |
| SCHEMBL26156694 | 0.76 | CCNT1 (0.34) | ESR2CCNT1CDK9 | |
| SCHEMBL9405831 | 0.75 | ESR2 (0.37) | ESR2 | |
| SCHEMBL29324365 | 0.74 | FEN1 (0.36) | ESR2TRPV1 | |
| SCHEMBL9419278 | 0.74 | CCNT1 (0.36) | ESR2CCNT1CDK9 |
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 |