Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MPL | P40238 | 4/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.44 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419351 | 0.88 | MCL1 (0.52) | MPLRARBRARARARGLTB4R2 | |
| SCHEMBL23512355 | 0.87 | HSD17B1 (0.41) | RAB9ASMN1; SMN2ALDH1A1MPLRARB | |
| SCHEMBL9842676 | 0.84 | RAB9A (0.45) | RAB9ASMN1; SMN2ALDH1A1MPLRARB | |
| SCHEMBL9419287 | 0.84 | RARB (0.65) | ALDH1A1MPLRARBRARARARG | |
| SCHEMBL9419291 | 0.83 | RARB (0.67) | ALDH1A1MPLRARBRARARARG | |
| SCHEMBL13405763 | 0.82 | LMNA (0.43) | RAB9ASMN1; SMN2ALDH1A1S1PR1S1PR5 | |
| SCHEMBL9419340 | 0.81 | SMN1; SMN2 (0.47) | RAB9ASMN1; SMN2ALDH1A1NPC1PRKAB2 | |
| SCHEMBL505335 | 0.81 | KDM4E (0.50) | ALDH1A1CYP2C19 | |
| SCHEMBL5571280 | 0.80 | HSD17B10 (0.59) | SMN1; SMN2ALDH1A1CA12CA9CYP2C19 | |
| SCHEMBL30585141 | 0.80 | BCL2L1 (0.52) | ALDH1A1RARBFOLH1 |
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 |