Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL325076 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TSHRKDM4ELMNAMAPT | |
| Iodide SCHEMBL8715119 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRKDM4ELMNAMAPT | |
| SCHEMBL10462001 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP2C9HPGDALOX15 | |
| SCHEMBL176403 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EMAPTMAPK1 | |
| SCHEMBL13343232 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9HPGDCYP2C19 | |
| Allylthiourea SCHEMBL28003386 | 0.75 | ALDH1A1 (0.72) | ALDH1A1TSHRCYP2C9HPGDALOX15 | |
| SCHEMBL11336151 | 0.75 | FAAH (0.46) | ALDH1A1TSHRHPGDLMNAMAPT | |
| SCHEMBL456759 | 0.75 | — | — | |
| Acrylamide SCHEMBL27665941 | 0.74 | TSHR (0.58) | ALDH1A1TSHRKDM4EMAPTGAA | |
| SCHEMBL7973521 | 0.74 | FAAH (0.49) | ALDH1A1TSHRHPGDKDM4ELMNA |
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-4133813-A | Cyclic nitrile carbonate-containing compounds | ATLANTIC RICHFIELD COMPANY (US) | 1979-01-09 | — | — | US | disclosed |