Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 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 | |
|---|---|---|---|---|
| SCHEMBL30817696 | 0.78 | ALDH1A1 (0.52) | NPC1RAB9ATDP1CES2CES1 | |
| SCHEMBL9893714 | 0.78 | KCNQ3 (0.43) | NPC1RAB9AMAOBMAPTKMT2A | |
| SCHEMBL22164505 | 0.78 | HPGD (0.51) | NPC1RAB9ATDP1MAPTKMT2A | |
| SCHEMBL28095895 | 0.78 | NPC1 (0.36) | NPC1RAB9ATDP1CES2CES1 | |
| SCHEMBL31302316 | 0.76 | TTR (0.50) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL104151 | 0.76 | TTR (0.50) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL10555693 | 0.76 | CES2 (0.45) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL9215548 | 0.76 | NPC1 (0.47) | NPC1RAB9ACES2CES1MAOB | |
| Fluoride SCHEMBL11181401 | 0.75 | TTR (0.48) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL381027 | 0.75 | NPC1 (0.44) | NPC1RAB9ACES2CES1MAOB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4348538-A | IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | claimed |
| EP-0048411-A2 | Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation | BAYER AG (DE) | 1982-03-31 | — | — | EP | claimed |
| EP-0048411-B1 | PROCESS FOR PREPARING 3-BROMO-4-FLUORO-BENZALDEHYDE ACETALS, INTERMEDIATES AND THEIR PREPARATION | BAYER AG (DE) | 1986-11-12 | — | — | EP | disclosed |
| US-4348538-A | IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-09-07 | — | — | US | disclosed |
| EP-0048411-A2 | Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation | BAYER AG (DE) | 1982-03-31 | — | — | EP | disclosed |