Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL11246770 | 0.79 | TDP1 (0.32) | — | |
| SCHEMBL28204335 | 0.76 | CES1 (0.38) | TSHRCES2THRBCES1ALDH1A1 | |
| SCHEMBL8853371 | 0.74 | HSD17B10 (0.39) | TSHRCES2THRBCES1ALDH1A1 | |
| SCHEMBL11294400 | 0.73 | CES2 (0.35) | CES2THRBCES1ALDH1A1HPGD | |
| SCHEMBL8777417 | 0.72 | NOS3 (0.41) | CES2THRBCES1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL10822670 | 0.72 | HSD17B10 (0.38) | TSHRCES2THRBCES1ALDH1A1 | |
| SCHEMBL10822669 | 0.72 | ALDH1A1 (0.41) | TSHRCES2THRBCES1ALDH1A1 | |
| Zinc Ion SCHEMBL10586397 | 0.71 | CA1 (0.38) | CES2THRBCES1ALDH1A1HPGD | |
| SCHEMBL11778172 | 0.69 | ALDH1A1 (0.45) | TSHRCES2CES1ALDH1A1HSD17B10 | |
| SCHEMBL154749 | 0.68 | CA12 (0.50) | TSHRTHRBTHRACES1ALDH1A1 |
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-4311648-A | VULCANIZATION INHIBITION | MONSANTO COMPANY (US) | 1982-01-19 | — | — | US | disclosed |
| US-4291141-A | INHIBITORS OF PREMATURE VULCANIZATION OF DIENES | MONSANTO COMPANY (US) | 1981-09-22 | — | — | US | disclosed |