Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.30 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8645352 | 0.98 | GRIN1 (0.33) | EPHX1GRIN1GRIN2AS1PR2S1PR4 | |
| SCHEMBL21526801 | 0.86 | TSHR (0.44) | EPHX1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL15470007 | 0.84 | CA12 (0.44) | ANPEPPKMALDH1A1TSHRCYP1A2 | |
| SCHEMBL21416699 | 0.83 | CA12 (0.41) | ANPEPALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL18211885 | 0.80 | ANPEP (0.38) | ANPEP | |
| SCHEMBL10000679 | 0.79 | EPHX1 (0.46) | EPHX1GRIN1GRIN2AS1PR2S1PR4 | |
| SCHEMBL9407514 | 0.78 | GRIN1 (0.33) | GRIN1GRIN2AANPEPERAP2PKM | |
| SCHEMBL6239009 | 0.78 | — | — | |
| SCHEMBL13815124 | 0.76 | EPHX1 (0.42) | EPHX1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL24508702 | 0.75 | EPHX1 (0.46) | EPHX1GRIN1GRIN2AS1PR2S1PR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399519-B1 | Potentiating cell-mediated immunity utilizing polyamine derivatives | MERRELL PHARMA INC (US) | 1996-08-07 | — | — | EP | claimed |
| US-5109024-A | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-04-28 | — | — | US | claimed |
| US-5109024-A | Polyamine derivatives as antineoplastic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-04-28 | — | — | US | disclosed |