Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | GAA | P10253 | 8/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.38 |
| ▸ | GLA | P06280 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17687428 | 0.81 | KDM4E (0.40) | MAPTPOLBHPGDKDM4EALDH1A1 | |
| SCHEMBL2662236 | 0.72 | MAPT (0.52) | MAPTPOLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7168744 | 0.69 | MEN1 (0.49) | MAPTKDM4EALDH1A1GAAHTT | |
| SCHEMBL4601826 | 0.69 | HTR6 (0.41) | HPGDKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL2662563 | 0.67 | TSHR (0.47) | MAPTPOLBKDM4EALDH1A1HTT | |
| SCHEMBL1336037 | 0.64 | LOX (0.60) | MAPTPOLBCYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL28533417 | 0.62 | LOX (0.58) | MAPTPOLBCYP3A4CYP2C9CYP2C19 | |
| Urea SCHEMBL5898643 | 0.62 | F2 (0.56) | MAPTPOLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5783671 | 0.61 | HTR6 (0.70) | LOX | |
| SCHEMBL2933307 | 0.61 | HTR6 (0.56) | MAPTPOLBCYP3A4CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |