Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520791 | 0.90 | CYP2D6 (0.46) | CYP2D6TSHRALDH1A1NT5ECA12 | |
| SCHEMBL11684049 | 0.89 | CYP2D6 (0.45) | CYP2D6TSHRALDH1A1NT5ECA12 | |
| SCHEMBL5856927 | 0.81 | HDAC4 (0.47) | TSHRALDH1A1NT5ECA12CA1 | |
| SCHEMBL11518024 | 0.80 | CA9 (0.55) | CYP2D6ALDH1A1CA12CA1CA2 | |
| SCHEMBL11517824 | 0.79 | CA12 (0.47) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL5859799 | 0.78 | HDAC4 (0.49) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL11518495 | 0.77 | PDE4D (0.43) | TSHRALDH1A1CA1CA2GAA | |
| SCHEMBL28417721 | 0.77 | GAA (0.53) | TSHRALDH1A1NT5ECA12CA1 | |
| SCHEMBL4773652 | 0.77 | GAA (0.46) | CYP2D6TSHRALDH1A1CA12CA1 | |
| SCHEMBL4768851 | 0.77 | CASP3 (0.53) | TSHRALDH1A1CA12CA1CA2 |
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 |