Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2984188 | 0.99 | CA12 (0.36) | CA12CA2CA9EGFRFDPS | |
| SCHEMBL6272601 | 0.89 | MITF (0.33) | — | |
| Hydrochloric Acid SCHEMBL6740843 | 0.88 | PRSS1 (0.33) | MAPTMEN1KMT2ATDP1 | |
| SCHEMBL6141882 | 0.82 | GAA (0.50) | EGFRMAPTMEN1KMT2AMAPK1 | |
| SCHEMBL6141822 | 0.82 | PRKCI (0.42) | CA12CA2CA9EGFRMAPT | |
| Hydrochloric Acid SCHEMBL2992189 | 0.81 | GAA (0.49) | MAPTSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL5272099 | 0.81 | CA12 (0.33) | CA12CA2CA9MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6740557 | 0.81 | ADRA2B (0.33) | — | |
| Hydrochloric Acid SCHEMBL2984711 | 0.81 | ACHE (0.44) | CA12CA2CA9EGFRMAPT | |
| SCHEMBL6141854 | 0.80 | MITF (0.44) | EGFRMAPTMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1493731-A1 | N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives | Wella Aktiengesellschaft (DE) | 2005-01-05 | — | — | EP | disclosed |