Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10686702 | 0.83 | CYP1A2 (0.67) | ALDH1A1CYP1A2TSHRMAPTCYP2C19 | |
| SCHEMBL28552751 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL26931027 | 0.83 | ALDH1A1 (0.44) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL30660344 | 0.83 | ALDH1A1 (0.44) | ALDH1A1MAPTPOLBMEN1KMT2A | |
| SCHEMBL31381435 | 0.82 | ALDH1A1 (0.62) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL1800710 | 0.81 | ALDH1A1 (0.65) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL9975340 | 0.80 | ALDH1A1 (0.40) | ALDH1A1NPSR1MAPTPOLBCYP2C19 | |
| SCHEMBL6891762 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL11857485 | 0.78 | CASP1 (0.45) | ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL3241378 | 0.77 | CYP1A2 (0.49) | ALDH1A1CYP1A2TSHRMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004089529-A1 | METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES | Universität Konstanz (DE) | 2004-10-21 | — | — | WO | disclosed |