Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTAFR | P25105 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6437918 | 0.93 | KDM4E (0.52) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL4044993 | 0.85 | KDM4E (0.49) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL7718571 | 0.84 | CYP2D6 (0.51) | CYP2D6TSHRKDM4ESYKLMNA | |
| SCHEMBL6447784 | 0.81 | TSHR (0.60) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL7719087 | 0.81 | PKM (0.56) | TSHRKDM4ENPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31620997 | 0.79 | KDM4E (0.58) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL5567501 | 0.79 | KDM4E (0.64) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL7526518 | 0.79 | KDM4E (0.64) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL6442664 | 0.77 | KDM4E (0.47) | CYP2D6TSHRKDM4ENPC1ALDH1A1 | |
| SCHEMBL4047895 | 0.75 | KDM4E (0.53) | CYP2D6TSHRKDM4ENPC1ALDH1A1 |
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-2002087587-A2 | 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-11-07 | — | — | WO | disclosed |