Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CRHBP | P24387 | 1/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28758135 | 0.78 | TSHR (0.94) | TSHRDAOALDH1A1LMNACYP1A2 | |
| SCHEMBL8405763 | 0.77 | LMNA (0.50) | HPGDALDH1A1LMNACYP1A2PTGS1 | |
| Hydroquinone SCHEMBL51561 | 0.77 | TSHR (0.79) | TSHRDAOALDH1A1LMNACYP1A2 | |
| Phenol SCHEMBL21518644 | 0.77 | TSHR (0.79) | TSHRDAOALDH1A1LMNACYP1A2 | |
| Phenol SCHEMBL5486172 | 0.77 | TSHR (0.79) | TSHRDAOALDH1A1LMNACYP1A2 | |
| SCHEMBL27380 | 0.76 | TSHR (1.00) | TSHRALDH1A1LMNACYP1A2PTGS1 | |
| SCHEMBL5311581 | 0.76 | TSHR (1.00) | TSHRALDH1A1LMNACYP1A2PTGS1 | |
| Benzene SCHEMBL27997624 | 0.76 | TSHR (1.00) | TSHRALDH1A1LMNACYP1A2PTGS1 | |
| Resorcinol SCHEMBL2944120 | 0.75 | TSHR (0.68) | TSHRCYP3A4HSD17B10DAOALDH1A1 | |
| Catechol SCHEMBL10530180 | 0.74 | TSHR (0.75) | TSHRCYP3A4HPGDHSD17B10DAO |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4769370-A | BRAIN INJURY TREATMENT | MERCK & CO., INC. (US) | 1988-09-06 | — | — | US | disclosed |