Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKLR | P30613 | 4/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | FABP1 | P07148 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7357627 | 0.80 | PKLR (0.46) | ALDH1A1LMNAPKLRTRPV1MEN1 | |
| SCHEMBL7353803 | 0.79 | PKLR (0.47) | ALDH1A1LMNAPKLRHTR6MEN1 | |
| SCHEMBL7356136 | 0.79 | ALDH1A1 (0.48) | ALDH1A1LMNAPKLRHTR6MEN1 | |
| SCHEMBL8524454 | 0.73 | PKLR (0.49) | ALDH1A1LMNAPKLRMEN1KMT2A | |
| SCHEMBL7352541 | 0.73 | PKLR (0.48) | ALDH1A1LMNAPKLRHTR6MEN1 | |
| SCHEMBL7356024 | 0.72 | F2 (0.47) | ALDH1A1TP53HTTPKM | |
| SCHEMBL6572882 | 0.71 | MEN1 (0.52) | ALDH1A1PKLRMEN1KMT2AFABP1 | |
| SCHEMBL8525044 | 0.71 | PKLR (0.49) | ALDH1A1PKLRMEN1KMT2AFABP1 | |
| SCHEMBL6633872 | 0.71 | F2 (0.50) | ALDH1A1PKLRMEN1KMT2ATP53 | |
| SCHEMBL7358688 | 0.70 | PKLR (0.47) | ALDH1A1LMNAPKLRHTR6MEN1 |
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-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |