Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL11682922 | 0.95 | CYP2D6 (0.39) | CYP2D6TSHRAPPPRMT1ALDH1A1 | |
| Aniline SCHEMBL11686945 | 0.90 | CYP2D6 (0.41) | CYP2D6TSHRPRMT1ALDH1A1HSD17B10 | |
| 3-Chloroaniline SCHEMBL11688132 | 0.84 | ALDH1A1 (0.46) | CYP2D6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL11683545 | 0.81 | CYP2D6 (0.31) | CYP2D6APP | |
| 3-Chloroaniline SCHEMBL11684350 | 0.80 | ALDH1A1 (0.45) | CYP2D6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL11681656 | 0.79 | HDAC3 (0.33) | — | |
| SCHEMBL11682896 | 0.79 | TSHR (0.41) | CYP2D6TSHRALDH1A1HSD17B10 | |
| SCHEMBL11686664 | 0.77 | CYP2D6 (0.31) | CYP2D6APP | |
| SCHEMBL11682586 | 0.76 | HDAC3 (0.33) | — | |
| 3-Chloroaniline SCHEMBL11682458 | 0.75 | ALDH1A1 (0.49) | CYP2D6TSHRALDH1A1HSD17B10TDP1 |
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-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |