Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PARG | Q86W56 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL154509 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL11232011 | 0.80 | — | — | |
| Naphthalene SCHEMBL11128018 | 0.75 | CYP2A6 (0.50) | HTTHTR1BGAAALDH1A1CYP1A2 | |
| SCHEMBL14606059 | 0.74 | CYP2C19 (0.62) | TSHRALDH1A1THRBCYP1A2KMT2A | |
| Naphthalene SCHEMBL27435552 | 0.73 | ALDH1A1 (0.53) | HTTTSHRALDH1A1CYP1A2L3MBTL1 | |
| Naphthalene SCHEMBL10990624 | 0.72 | HTR1B (0.44) | HTTTSHRHTR1BGAAALDH1A1 | |
| P-Xylene SCHEMBL713870 | 0.70 | THRB (0.50) | HTTTSHRGAAALDH1A1THRB | |
| SCHEMBL421501 | 0.69 | MEN1 (0.64) | HTTTSHRGAAKMT2AMEN1 | |
| SCHEMBL8851279 | 0.69 | — | — | |
| SCHEMBL6162479 | 0.68 | ALDH1A1 (0.58) | HTTGAAALDH1A1THRBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4500715-A | CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-02-19 | — | — | US | disclosed |
| US-4268438-A | Cationic 1,3,4-thiadiazole dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |