Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL267327 | 0.88 | GPR35 (0.56) | ALDH1A1TSHRGPR35TDP1CTSD | |
| 4-Nitrobenzoyl Chloride SCHEMBL11334187 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRGPR35CES1CES2 | |
| 4-Nitrobenzoyl Chloride SCHEMBL28873526 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TSHRCES1CES2CA1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL43141 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TSHRCES1CES2CA1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL5400755 | 0.78 | ALDH1A1 (0.96) | ALDH1A1TSHRCES1CES2CA1 | |
| SCHEMBL10789939 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRGPR35CES1CES2 | |
| SCHEMBL3278518 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRGPR35CES2TDP1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL9613734 | 0.76 | ALDH1A1 (0.85) | ALDH1A1TSHRCES1CES2CA1 | |
| 4-Nitrobenzoyl Chloride SCHEMBL11334184 | 0.75 | ALDH1A1 (0.65) | ALDH1A1TSHRCES1CES2CA1 | |
| SCHEMBL3032088 | 0.74 | ALDH1A1 (0.88) | ALDH1A1TSHRCES1CES2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |