Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27655316 | 0.85 | KAT2B (0.71) | KAT2BMAPTPKMLMNAHCAR3 | |
| Iodide SCHEMBL8613774 | 0.82 | KAT2B (0.53) | KAT2BMAPTPKMLMNAHCAR3 | |
| SCHEMBL8975849 | 0.80 | KAT2B (0.54) | KAT2BMAPTPKMLMNAHCAR3 | |
| SCHEMBL1204829 | 0.80 | KAT2B (0.70) | KAT2BMAPTPKMLMNAHCAR3 | |
| SCHEMBL31069460 | 0.80 | KAT2B (0.70) | KAT2BMAPTPKMLMNAHCAR3 | |
| Iodide SCHEMBL8985637 | 0.79 | HCAR3 (0.44) | KAT2BMAPTPKMLMNAHCAR3 | |
| SCHEMBL8976392 | 0.78 | KAT2B (0.58) | KAT2BMAPTPKMLMNAHCAR3 | |
| Iodide SCHEMBL8985582 | 0.77 | KAT2B (0.57) | KAT2BMAPTPKMLMNAHCAR3 | |
| Bromide SCHEMBL8619146 | 0.77 | KAT2B (0.57) | KAT2BMAPTPKMLMNAHCAR3 | |
| SCHEMBL2080430 | 0.75 | KAT2B (0.65) | KAT2BMAPTPKMLMNAHCAR3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5486629-A | Direct dyes having a quaternary center with a long aliphatic chain | CLAIROL, INC. (US) | 1996-01-23 | — | — | US | disclosed |
| US-5360930-A | Hair dyes; shampoo stable; uniformity | CLAIROL INC. (US) | 1994-11-01 | — | — | US | disclosed |
| US-5314505-A | Hair dyes, direct dyes with improved affinity for hair | CLAIROL, INC. (US) | 1994-05-24 | — | — | US | disclosed |
| US-5298029-A | Hair dyes | CLAIROL INCORPORATED (US) | 1994-03-29 | — | — | US | disclosed |
| US-5169403-A | Washfast hair dyes | CLAIROL, INC. | 1992-12-08 | — | — | US | disclosed |