Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | MYLK | Q15746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.46 |
| ▸ | GMNN | O75496 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6793698 | 0.80 | PKM (0.89) | PKMMCOLN3TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9780187 | 0.79 | PKM (0.54) | PKMMCOLN3TSHRCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9780283 | 0.78 | PKM (0.79) | PKMMCOLN3TSHRMEN1KMT2A | |
| SCHEMBL9094358 | 0.76 | ROCK1 (0.62) | PKMMCOLN3TSHRCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL9780189 | 0.74 | PKM (0.54) | PKMMCOLN3TSHRCYP3A4CYP2D6 | |
| SCHEMBL333988 | 0.74 | PKM (1.00) | PKMMCOLN3TSHRMEN1KMT2A | |
| SCHEMBL568043 | 0.74 | ROCK1 (0.60) | PKMTSHRCYP3A4CYP2D6MYLK | |
| SCHEMBL6973412 | 0.74 | ALDH1A1 (0.60) | PKMTSHRCYP3A4CYP2D6MYLK | |
| Hydrochloric Acid SCHEMBL567792 | 0.73 | ROCK2 (0.61) | PKMTSHRCYP3A4CYP2D6MYLK | |
| Hydrochloric Acid SCHEMBL932094 | 0.73 | PKM (0.97) | PKMMCOLN3TSHRMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | claimed |
| US-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | disclosed |