Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15281943 | 0.85 | ALDH1A1 (0.41) | ALDH1A1DNM1ATMDGKAHPGD | |
| SCHEMBL20036410 | 0.83 | CNR1 (0.40) | ALDH1A1DNM1ATMHPGDTSHR | |
| SCHEMBL951438 | 0.82 | ALDH1A1 (0.41) | ALDH1A1DNM1DGKACES2CES1 | |
| SCHEMBL11315083 | 0.80 | ALDH1A1 (0.44) | ALDH1A1DNM1ATMDGKAHPGD | |
| SCHEMBL30966590 | 0.80 | ALDH1A1 (0.52) | ALDH1A1DNM1DGKACES2CES1 | |
| SCHEMBL18359032 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ATMCES2HPGDTSHR | |
| SCHEMBL27385831 | 0.78 | NAAA (0.48) | ALDH1A1DNM1DGKACES2TSHR | |
| SCHEMBL5159255 | 0.77 | ALDH1A1 (0.41) | ALDH1A1DNM1ATMHPGDTSHR | |
| SCHEMBL5158546 | 0.77 | ALDH1A1 (0.41) | ALDH1A1DNM1ATMDGKAHPGD | |
| SCHEMBL8874971 | 0.75 | CYP1A2 (0.46) | ALDH1A1DNM1TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3271329-B1 | NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF | HANGZHOU DAC BIOTECH CO LTD (CN) | 2021-08-18 | — | — | EP | disclosed |