Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CCR4 | P51679 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27395501 | 0.82 | ACHE (0.75) | ACHECYP2A6TDP1ALDH1A1MAPK1 | |
| SCHEMBL51694 | 0.79 | — | — | |
| SCHEMBL240787 | 0.79 | — | — | |
| SCHEMBL28090547 | 0.76 | CYP2A6 (0.47) | ACHECYP2A6TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL891494 | 0.76 | ACHE (1.00) | ACHECYP2A6TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL6397624 | 0.76 | — | — | |
| M-Xylene SCHEMBL28189 | 0.76 | — | — | |
| SCHEMBL6013604 | 0.75 | CYP2A6 (0.60) | CYP2A6TDP1ALDH1A1CYP1A2LMNA | |
| SCHEMBL24063287 | 0.74 | CYP2A6 (0.48) | ACHECYP2A6ALDH1A1NPSR1LMNA | |
| M-Xylene SCHEMBL8641735 | 0.73 | ACHE (0.80) | ACHECYP2A6TDP1ALDH1A1MAPK1 |
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-2010071885-A1 | PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS | CEPHALON, INC. (US) | 2010-06-24 | — | — | WO | disclosed |