Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.78 |
| ▸ | NPC1 | O15118 | 7/20 | 0.78 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.78 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.78 |
| ▸ | RELA | Q04206 | 2/20 | 0.78 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | STAT3 | P40763 | 1/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | CASP3 | P42574 | 2/20 | 0.62 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.62 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.62 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RARB | P10826 | 5/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL10557313 | 0.90 | RAB9A (0.71) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL10662853 | 0.89 | RAB9A (0.97) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9723816 | 0.89 | RAB9A (0.97) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9805357 | 0.88 | RAB9A (1.00) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9435126 | 0.87 | RAB9A (0.74) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| Hydrochloric Acid SCHEMBL10661558 | 0.87 | RAB9A (0.74) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL30175860 | 0.86 | RAB9A (0.65) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL9723790 | 0.86 | SMN1; SMN2 (0.85) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL10558151 | 0.85 | RAB9A (0.82) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 | |
| SCHEMBL10559744 | 0.85 | RAB9A (0.82) | RAB9ASMN1; SMN2NPC1NFKB1NFKB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4970022-A | ISOTHIOCYANATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-11-13 | — | — | US | disclosed |
| EP-0250505-B1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-07-04 | — | — | EP | disclosed |
| EP-0250505-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1988-01-07 | — | — | EP | disclosed |
| WO-1987003870-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-07-02 | — | — | WO | disclosed |