Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11682894 | 0.92 | CYP2D6 (0.52) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL9444696 | 0.86 | CYP2D6 (0.69) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL11516148 | 0.83 | CYP2D6 (0.59) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL11519780 | 0.82 | CYP2D6 (0.63) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL12010052 | 0.81 | ALDH1A1 (0.56) | CA1CA2CA9CA12CA4 | |
| SCHEMBL11518471 | 0.79 | CYP2D6 (0.58) | CYP2D6ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL11521809 | 0.79 | CYP2D6 (0.58) | CYP2D6CA1CA2ALDH1A1TSHR | |
| SCHEMBL11689794 | 0.78 | CA1 (0.49) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL11516144 | 0.78 | CYP2D6 (1.00) | CYP2D6CA1CA2CA9CA12 | |
| SCHEMBL10688912 | 0.78 | CYP2D6 (0.49) | CYP2D6CA1CA2CA9CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4754024-A | Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups | CIBA-GEIGY CORPORATION | 1988-06-28 | — | — | US | disclosed |
| 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 |