Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10528841 | 0.84 | ACHE (0.48) | ESR1ESR2NFE2L2ACHEMEN1 | |
| SCHEMBL10522576 | 0.78 | ESR1 (0.58) | ESR1ESR2NFE2L2KMT2ANPC1 | |
| SCHEMBL10522878 | 0.78 | ESR1 (0.58) | ESR1ESR2NFE2L2KMT2ANPC1 | |
| Bromide SCHEMBL27278280 | 0.77 | NFE2L2 (0.43) | ESR2NFE2L2ACHEMEN1KMT2A | |
| SCHEMBL517954 | 0.77 | ESR1 (0.68) | ESR1ESR2GAAMAPTHTT | |
| SCHEMBL8915062 | 0.76 | NFE2L2 (0.42) | NFE2L2ACHEMEN1KMT2ACES2 | |
| Phosphine SCHEMBL15190577 | 0.74 | ESR1 (0.65) | ESR1ESR2GAAMAPTHTT | |
| SCHEMBL31176947 | 0.74 | ESR1 (0.65) | ESR1ESR2GAAMAPTHTT | |
| SCHEMBL9772833 | 0.74 | ESR1 (0.65) | ESR1ESR2GAAMAPTHTT | |
| SCHEMBL10522011 | 0.73 | ACHE (0.48) | ESR1ESR2ACHENPC1RAB9A |
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-4806691-A | Process for the preparation of tertiary phosphine oxides | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-21 | — | — | US | disclosed |