Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL525211 | 0.84 | AKR1C3 (0.55) | TSHRNPC1AKR1C3CYP2C19KMT2A | |
| SCHEMBL525210 | 0.84 | AKR1C3 (0.55) | TSHRNPC1AKR1C3CYP2C19KMT2A | |
| SCHEMBL28499934 | 0.83 | GRIN2D (0.42) | NPC1AKR1C3KMT2AALDH1A1MAPT | |
| SCHEMBL10625434 | 0.82 | AKR1C3 (0.53) | TSHRNPC1AKR1C3CYP2C19KMT2A | |
| SCHEMBL28501761 | 0.81 | CYP2C9 (0.51) | AKR1C3ALDH1A1AKR1C1HTTFBP1 | |
| SCHEMBL6510379 | 0.81 | MCL1 (0.49) | MCL1TSHRNPC1AKR1C3CYP2C19 | |
| SCHEMBL7564827 | 0.81 | MCL1 (0.49) | MCL1TSHRNPC1AKR1C3CYP2C19 | |
| SCHEMBL1291048 | 0.79 | MCL1 (0.47) | MCL1TSHRAKR1C3KMT2AALDH1A1 | |
| SCHEMBL13108767 | 0.77 | EGFR (0.51) | TSHRNPC1AKR1C3CYP2C19KMT2A | |
| SCHEMBL13123943 | 0.77 | EGFR (0.51) | TSHRNPC1AKR1C3CYP2C19KMT2A |
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-1998042657-A1 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-01 | — | — | WO | disclosed |