Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 3/20 | 0.67 |
| ▸ | PKLR | P30613 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | FABP1 | P07148 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3196667 | 0.80 | NTSR1 (0.79) | NTSR1PKLRALDH1A1GAAFABP1 | |
| SCHEMBL3185394 | 0.80 | NTSR1 (1.00) | NTSR1 | |
| SCHEMBL27650858 | 0.77 | NTSR1 (0.62) | NTSR1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL3195492 | 0.76 | NTSR1 (0.62) | NTSR1PKLRALDH1A1GAAMEN1 | |
| SCHEMBL3146898 | 0.76 | HTR6 (0.72) | NTSR1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL8026334 | 0.75 | F2 (0.55) | NTSR1PKLRALDH1A1GAAMEN1 | |
| SCHEMBL7357627 | 0.75 | PKLR (0.46) | NTSR1PKLRALDH1A1GAAMEN1 | |
| SCHEMBL6572882 | 0.75 | MEN1 (0.52) | PKLRALDH1A1GAAMEN1KMT2A | |
| SCHEMBL6633872 | 0.75 | F2 (0.50) | NTSR1PKLRALDH1A1GAAMEN1 | |
| SCHEMBL8029757 | 0.74 | F2 (0.55) | PKLRALDH1A1GAAMEN1KMT2A |
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 |