Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11247894 | 0.83 | TSHR (0.42) | ALDH1A1TSHRAKR1B1CES2CES1 | |
| SCHEMBL5179498 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TSHRAKR1B1CES2CES1 | |
| SCHEMBL9274763 | 0.76 | PDK1 (0.39) | ALDH1A1KMT2AMEN1POLB | |
| SCHEMBL9125705 | 0.76 | KMT2A (0.40) | ALDH1A1TSHRKMT2AMEN1CYP1A2 | |
| SCHEMBL11271848 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TSHRAKR1B1CES2CES1 | |
| SCHEMBL11249700 | 0.74 | HTR2B (0.47) | TSHRSMN1; SMN2KMT2AMEN1POLB | |
| SCHEMBL11249698 | 0.71 | CYP1A2 (0.38) | ALDH1A1SMN1; SMN2KMT2AMEN1POLB | |
| SCHEMBL28852475 | 0.71 | CES2 (0.41) | ALDH1A1TSHRAKR1B1CES2CES1 | |
| SCHEMBL7666178 | 0.71 | CYP1A2 (0.43) | ALDH1A1TSHRAKR1B1CES2CES1 | |
| SCHEMBL11245746 | 0.69 | CYP3A4 (0.31) | ALDH1A1 |
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-4318915-A | Substituted guandines and methods of preparation thereof | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |