Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23792352 | 0.86 | TAS1R3 (0.51) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL12514129 | 0.85 | TAS1R3 (0.57) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL9222707 | 0.85 | TAS1R3 (0.52) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL23791843 | 0.82 | TAS1R3 (0.58) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL8768684 | 0.82 | TAS1R3 (0.50) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL8634983 | 0.81 | ALDH1A1 (0.69) | RAB9AKMT2ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL25187447 | 0.81 | TAS1R3 (0.53) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL23791857 | 0.81 | TAS1R3 (0.53) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL9836181 | 0.81 | TAS1R3 (0.52) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL11575925 | 0.80 | CYP1A2 (0.68) | TAS1R3TAS1R1NPC1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0639049-B1 | HALOGENATED 4'-METHOXYACETOPHENONES AS MICROBICIDES AND PRESERVATIVES | BUCKMAN LABOR INC (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5466717-A | INHIBITING THE GROWTH OF MICROORGANISMS IN AN AQUEOUS SYSTEM | BUCKMAN LABORATORIES INT'L, INC. (US) | 1995-11-14 | — | — | US | disclosed |
| EP-0639049-A1 | HALOGENATED 4'-METHOXYACETOPHENONES AS MICROBICIDES AND PRESERVATIVES | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1995-02-22 | — | — | EP | disclosed |
| WO-1993022918-A1 | HALOGENATED 4'-METHOXYACETOPHENONES AS MICROBICIDES AND PRESERVATIVES | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1993-11-25 | — | — | WO | disclosed |