Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.35 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.35 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637852 | 0.86 | ABL1 (0.40) | ABL1CHRM5CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL4637989 | 0.79 | ABL1 (0.47) | ABL1CHRM5CYP11B1CYP11B2TACR1 | |
| SCHEMBL4638481 | 0.79 | IDH1 (0.44) | CYP11B1CYP11B2TACR1KDRIDH1 | |
| SCHEMBL4637712 | 0.79 | IDH1 (0.51) | IDH1MAPTSMN1; SMN2 | |
| SCHEMBL4637750 | 0.77 | IDH1 (0.43) | IDH1MAPTSMN1; SMN2 | |
| SCHEMBL4638808 | 0.77 | P2RX7 (0.38) | CYP11B2ALDH1A1IDH1CYP1A2MAPT | |
| SCHEMBL4638903 | 0.76 | IDH1 (0.38) | CYP11B1CYP11B2ALDH1A1KDRIDH1 | |
| SCHEMBL4638893 | 0.76 | ABL1 (0.44) | ABL1CHRM5CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL6426240 | 0.74 | ABL1 (0.38) | ABL1CHRM5CYP11B1CYP11B2SLC16A3 | |
| SCHEMBL4637948 | 0.71 | RORB (0.36) | TACR1IDH1MAPTSMN1; SMN2 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |