Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30902486 | 0.89 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL25550708 | 0.84 | CYP1A2 (0.48) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL2010577 | 0.81 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL10755899 | 0.79 | HTT (0.49) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL15553481 | 0.78 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL30902373 | 0.78 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL565487 | 0.75 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1LMNACYP1A2CYP2D6 | |
| SCHEMBL31714828 | 0.73 | KDM4E (0.43) | ALDH1A1L3MBTL1CYP1A2KDM4ECYP3A4 | |
| SCHEMBL13858951 | 0.72 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1LMNACYP1A2KDM4E | |
| SCHEMBL2010378 | 0.72 | SRC (0.52) | ALDH1A1L3MBTL1LMNAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |