Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 2/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986413 | 1.00 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL19077941 | 0.98 | CYP1A2 (0.42) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL1532890 | 0.98 | CYP1A2 (0.45) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9157630 | 0.98 | CYP1A2 (0.45) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL11279649 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27914394 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9121859 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27917417 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL27917441 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A | |
| SCHEMBL9646856 | 0.96 | CYP1A2 (0.43) | CYP1A2PKMHTTMEN1KMT2A |
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-4528114-A | Acetylenes | HOFFMANN-LA ROCHE INC. (US) | 1985-07-09 | — | — | US | disclosed |