Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4872121 | 0.84 | ALDH1A1 (0.65) | ALDH1A1TDP1CASP1CYP3A4ALOX15 | |
| SCHEMBL34217 | 0.84 | — | — | |
| SCHEMBL29350390 | 0.84 | — | — | |
| SCHEMBL29366708 | 0.84 | — | — | |
| SCHEMBL33980 | 0.84 | — | — | |
| 2,5-Xylidine SCHEMBL28278837 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TDP1CASP1CYP3A4ALOX15 | |
| Ammonia Solution, Strong SCHEMBL324762 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1CASP1CYP3A4ALOX15 | |
| Ammonia Solution, Strong SCHEMBL1548755 | 0.82 | TDP1 (0.62) | ALDH1A1TDP1CYP3A4ALOX15THRB | |
| Fluoride SCHEMBL18789317 | 0.82 | TDP1 (0.62) | ALDH1A1TDP1CYP3A4ALOX15THRB | |
| Bromide SCHEMBL18979881 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1CASP1CYP3A4ALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091556-A | Catalytic reacting carbonate with amine | ENICHEM SYNTHESIS, S.P.A. (IT) | 1992-02-25 | — | — | US | claimed |