Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | FABP1 | P07148 | 2/20 | 0.47 |
| ▸ | PKLR | P30613 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7354443 | 0.81 | PKLR (0.47) | ALDH1A1LMNATP53HTTFABP1 | |
| SCHEMBL7355838 | 0.80 | F2 (0.40) | ALDH1A1GAAPKMMAPT | |
| SCHEMBL7352452 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNATP53HTTFABP1 | |
| SCHEMBL6642118 | 0.74 | TP53 (0.51) | ALDH1A1LMNATP53HTTFABP1 | |
| SCHEMBL8524454 | 0.72 | PKLR (0.49) | ALDH1A1LMNAFABP1PKLRMEN1 | |
| SCHEMBL7352541 | 0.72 | PKLR (0.48) | ALDH1A1LMNATP53HTTFABP1 | |
| SCHEMBL6572882 | 0.72 | MEN1 (0.52) | ALDH1A1TP53HTTFABP1PKLR | |
| SCHEMBL7392008 | 0.71 | FABP1 (0.52) | ALDH1A1TP53HTTFABP1PKLR | |
| SCHEMBL7353803 | 0.71 | PKLR (0.47) | ALDH1A1LMNATP53HTTFABP1 | |
| SCHEMBL6636393 | 0.71 | PKM (0.61) | ALDH1A1TP53HTTFABP1PKLR |
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 |