Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | FABP4 | P15090 | 3/20 | 0.48 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11686658 | 0.97 | CYP2D6 (0.49) | CYP2D6FABP4MEP1BCA1CA2 | |
| SCHEMBL11516148 | 0.91 | CYP2D6 (0.59) | CYP2D6FABP4MEP1BCA1CA2 | |
| SCHEMBL11682894 | 0.81 | CYP2D6 (0.52) | CYP2D6FABP4CA1CA2CA9 | |
| SCHEMBL11762933 | 0.81 | ALDH1A1 (0.49) | CYP2D6FABP4MEP1BCA1CA2 | |
| SCHEMBL8961352 | 0.78 | MAPK1 (0.57) | CA1CA2CA9ALDH1A1MEN1 | |
| SCHEMBL11517794 | 0.77 | KMT2A (0.40) | CYP2D6FABP4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11520559 | 0.76 | CYP2D6 (0.81) | CYP2D6CA1CA2CA9CYP3A4 | |
| SCHEMBL11516888 | 0.75 | CYP2D6 (0.49) | CYP2D6FABP4CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10696310 | 0.75 | CYP2D6 (0.63) | CYP2D6MEP1BCA1CA2CA9 | |
| SCHEMBL11689711 | 0.75 | MEP1B (0.43) | FABP4MEP1BCA1CA2CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4180503-A | FOR DYEING POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-25 | — | — | US | disclosed |
| US-4124581-A | FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST | BAYER AKTIENGESELLSCHAFT (DE) | 1978-11-07 | — | — | US | disclosed |
| US-4060521-A | POLYAMIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |