Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.63 |
| ▸ | RAD52 | P43351 | 2/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | APP | P05067 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | NSD2 | O96028 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6559481 | 0.99 | CHAT (0.62) | CHATRAD52CYP1A1CYP1B1CYP1A2 | |
| Iodide SCHEMBL9329244 | 0.79 | PTGS1 (0.60) | CHATRAD52APPPOLBMAPT | |
| Iodide SCHEMBL9329249 | 0.79 | PTGS1 (0.60) | CHATRAD52APPPOLBMAPT | |
| Iodide SCHEMBL6858541 | 0.78 | CHAT (0.67) | CHATRAD52APPMEN1POLB | |
| Iodide SCHEMBL6858540 | 0.78 | CHAT (0.67) | CHATRAD52APPMEN1POLB | |
| SCHEMBL12866151 | 0.78 | CHAT (0.67) | CHATRAD52CYP1A2APPMEN1 | |
| SCHEMBL12686413 | 0.78 | HTT (0.70) | CHATRAD52APPMEN1POLB | |
| SCHEMBL12866037 | 0.78 | CHAT (0.55) | CHATRAD52APPMEN1POLB | |
| SCHEMBL13766059 | 0.77 | CHAT (0.79) | CHATRAD52APPMEN1POLB | |
| Iodide SCHEMBL9329857 | 0.77 | CHAT (0.53) | CHATRAD52APPMEN1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235549-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001034106-A1 | AGENT FOR COLOURING KERATIN CONTAINING FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-05-17 | — | — | WO | disclosed |