Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL52040 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL26025673 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL10899068 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL362842 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL8857044 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL8857041 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| Methyl Alcohol SCHEMBL28639806 | 0.74 | ALDH1A1 (0.79) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| Propene SCHEMBL27967187 | 0.74 | ALDH1A1 (0.79) | ALDH1A1TDP1TAS1R3TAS1R1TSHR | |
| SCHEMBL5642169 | 0.73 | TSHR (0.50) | TSHRMAPTHPGDPTGS2LMNA | |
| SCHEMBL5642170 | 0.73 | TSHR (0.50) | TSHRMAPTHPGDPTGS2LMNA |
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-3950281-A | DIENE RUBBERS, CURABLE | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-13 | — | — | US | claimed |
| US-3950281-A | DIENE RUBBERS, CURABLE | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-13 | — | — | US | disclosed |