Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL8582991 | 1.00 | TDP1 (0.40) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8974875 | 0.83 | TDP1 (0.42) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18415682 | 0.78 | ALDH1A1 (0.45) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28774590 | 0.76 | TDP1 (0.44) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7795831 | 0.74 | TDP1 (0.42) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8152541 | 0.74 | CYP1A2 (0.41) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30500977 | 0.73 | ALDH1A1 (0.48) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL127278 | 0.73 | ALDH1A1 (0.48) | TDP1ATMCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12301112 | 0.72 | TSHR (0.42) | TDP1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL22207361 | 0.72 | TSHR (0.42) | TDP1CYP1A2CYP2D6CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |