Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5933876 | 0.84 | KCNN4 (0.58) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL197704 | 0.80 | TSHR (0.53) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL29617470 | 0.80 | TSHR (0.53) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| Fluoride SCHEMBL11730018 | 0.78 | TSHR (0.50) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| Hydrochloric Acid SCHEMBL9269217 | 0.78 | TSHR (0.50) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL4475144 | 0.78 | TSHR (0.50) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL1431670 | 0.77 | KCNN4 (0.56) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL3669301 | 0.77 | KCNN4 (0.56) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| SCHEMBL31521320 | 0.77 | KCNN4 (0.56) | KCNN4TSHRLMNAPNMTALDH1A1 | |
| Hydrazine SCHEMBL26109949 | 0.77 | KCNN4 (0.61) | KCNN4TSHRLMNAPNMTCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0057871-B1 | PROCESS FOR THE PREPARATION OF OPTIONALLY P-CHLORO-SUBSTITUTED 2,6-DIAMINO TOLUENE | BAYER AG (DE) | 1984-10-03 | — | — | EP | disclosed |
| US-4426538-A | Process for the preparation of optionally p-chlorine-substituted 2,6-diaminotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |
| EP-0057871-A2 | Process for the preparation of optionally p-chloro-substituted 2,6-diamino toluene | BAYER AG (DE) | 1982-08-18 | — | — | EP | disclosed |