Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.51 |
| ▸ | STAT3 | P40763 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27938428 | 0.88 | MAPT (0.53) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL27769492 | 0.87 | TRPM5 (0.53) | ALDH1A1TSHRCA2POLBCYP19A1 | |
| SCHEMBL27769528 | 0.83 | MMP1 (0.47) | ATMKDM4EALDH1A1TSHRCA2 | |
| SCHEMBL3732868 | 0.81 | ALDH1A1 (0.47) | KDM4EALDH1A1TSHRCYP3A4CYP2D6 | |
| SCHEMBL16641094 | 0.80 | CYP19A1 (0.77) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL31157848 | 0.80 | CYP19A1 (0.77) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL7917036 | 0.80 | ALDH1A1 (0.68) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL15699117 | 0.80 | ATM (0.59) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL910624 | 0.80 | ATM (0.59) | ATMKDM4EALDH1A1CA2POLB | |
| SCHEMBL11784674 | 0.80 | ATM (0.59) | ATMKDM4EALDH1A1CA2POLB |
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-2001042245-A1 | NEUROTROPHIC BICYCLIC DIAMIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |