Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Guanidinoethyldisulfide SCHEMBL145590 | 0.91 | TSHR (0.69) | TSHRHIF1AMAPTTDP1CYP1A2 | |
| Guanidinoethyldisulfide SCHEMBL1321518 | 0.88 | TSHR (0.67) | TSHRHIF1AMAPTTDP1CYP1A2 | |
| SCHEMBL12040362 | 0.82 | TSHR (0.60) | TSHRHIF1ACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL13035000 | 0.80 | TSHR (0.58) | TSHRHIF1ACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL14215853 | 0.77 | TSHR (0.55) | TSHRHIF1ACYP1A2SMN1; SMN2LMNA | |
| SCHEMBL10311296 | 0.76 | TSHR (0.53) | TSHRHIF1ACYP1A2CYP2C19NOS1 | |
| SCHEMBL7125618 | 0.76 | TSHR (0.53) | TSHRHIF1ACYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL690044 | 0.75 | — | — | |
| SCHEMBL1583678 | 0.73 | TSHR (0.46) | TSHRHIF1ATHPOMAPTTDP1 | |
| Hydrochloric Acid SCHEMBL2129107 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1275594-C | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 2006-09-20 | — | — | CN | claimed |
| CN-1212620-A | Mercapto derivatives as inhibitors of cyclooxygenases | CHILDRENS HOSP MEDICAL CENTER (US) | 1999-03-31 | — | — | CN | claimed |
| CN-1181700-A | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 1998-05-13 | — | — | CN | claimed |
| CN-1275594-C | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 2006-09-20 | — | — | CN | disclosed |
| CN-1212620-A | Mercapto derivatives as inhibitors of cyclooxygenases | CHILDRENS HOSP MEDICAL CENTER (US) | 1999-03-31 | — | — | CN | disclosed |
| CN-1181700-A | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 1998-05-13 | — | — | CN | disclosed |