Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | FABP1 | P07148 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9251623 | 0.85 | NR1I2 (0.45) | HDAC8ALDH1A1LMNASMN1; SMN2NPC1 | |
| SCHEMBL9250298 | 0.84 | NR1I2 (0.44) | ALDH1A1LMNASMN1; SMN2NPC1POLB | |
| SCHEMBL11214694 | 0.84 | AKR1C3 (0.60) | AKR1C3HDAC8ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL425583 | 0.83 | NR1I2 (0.54) | ALDH1A1LMNASMN1; SMN2NPC1POLB | |
| SCHEMBL5733094 | 0.80 | ERCC5 (0.53) | AKR1C3HDAC8ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11397508 | 0.79 | HPGD (0.53) | HDAC8ALDH1A1SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL11517214 | 0.79 | NR1I2 (0.50) | ALDH1A1LMNASMN1; SMN2POLBMEN1 | |
| SCHEMBL11048696 | 0.79 | AKR1C3 (0.66) | AKR1C3HDAC8ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11516000 | 0.78 | PARP1 (0.46) | ALDH1A1LMNAERCC5FEN1NPC1 | |
| Ether SCHEMBL11548464 | 0.76 | AKR1C3 (0.62) | AKR1C3HDAC8ALDH1A1LMNASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4472577-A | CATALYTIC HYDROGENATION OF ALPHA-OXO-PHOSPHONIC ACID ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-18 | — | — | US | disclosed |
| EP-0071805-A2 | Process for the preparation of alpha-hydroxy-phosphonic-acid esters | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |