Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15542723 | 0.83 | ALDH1A1 (0.43) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL7847044 | 0.83 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL2877529 | 0.83 | TSHR (0.50) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL131155 | 0.83 | ALDH1A1 (0.43) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL31533195 | 0.83 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL25077871 | 0.83 | CYP3A4 (0.45) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL6203764 | 0.83 | LOXL2 (0.47) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL545456 | 0.83 | CYP3A4 (0.43) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| SCHEMBL15542278 | 0.81 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL30321335 | 0.81 | LOXL2 (0.46) | CYP3A4TSHRTDP1ALDH1A1HPGD |
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-2007067444-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |