Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL525926 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1154858 | 0.94 | TSHR (0.48) | TSHRMAPTMEN1KMT2ACA12 | |
| Hydrochloric Acid SCHEMBL6010014 | 0.94 | TSHR (0.48) | TSHRMAPTMEN1KMT2ACA12 | |
| Benzidine SCHEMBL7896409 | 0.89 | CYP3A4 (0.58) | TSHRMAPTMEN1KMT2ACA12 | |
| SCHEMBL22427634 | 0.89 | MAPT (0.61) | TSHRMAPTMEN1KMT2ACA12 | |
| SCHEMBL8942483 | 0.89 | MAPT (0.61) | TSHRMAPTMEN1KMT2ACA12 | |
| SCHEMBL20048273 | 0.89 | CYP3A4 (0.58) | TSHRMAPTMEN1KMT2ACA12 | |
| SCHEMBL2543902 | 0.89 | CYP3A4 (0.58) | TSHRMAPTMEN1KMT2ACA12 | |
| Methane SCHEMBL29193641 | 0.87 | CYP3A4 (0.55) | TSHRMAPTMEN1KMT2ACA12 | |
| Butane SCHEMBL10456574 | 0.87 | ALDH1A1 (0.42) | TSHRMAPTMEN1KMT2ACA12 |
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-4487607-A | Oxidation hair dyes containing 5-halo-2,3-pyridine-diols as coupler components | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1984-12-11 | — | — | US | disclosed |