Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7439355 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10996565 | 0.86 | TSHR (0.46) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10997355 | 0.86 | POLB (0.55) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10993275 | 0.81 | FFAR1 (0.34) | CYP3A4CYP2D6CA1CA2CA7 | |
| SCHEMBL10995111 | 0.80 | LMNA (0.50) | ALDH1A1KMT2AMEN1TSHRGAA | |
| SCHEMBL10994694 | 0.78 | AKR1B1 (0.36) | ALDH1A1CA1CA2POLBLMNA | |
| SCHEMBL10995044 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1GAAPOLB | |
| SCHEMBL10993684 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10991656 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10994397 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6 |
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-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |