Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL19065738 | 0.80 | ESR1 (0.58) | TAAR1HTR2ACYP2A6IDO1ESR1 | |
| SCHEMBL9224737 | 0.75 | TP53 (0.43) | IDO1EPHX2ALDH1A1KDM4EMAPT | |
| SCHEMBL5485087 | 0.70 | TAAR1 (0.42) | TAAR1HTR2ACYP2A6IDO1PYCR1 | |
| SCHEMBL17529742 | 0.70 | TAAR1 (0.43) | TAAR1HTR2ACYP2A6IDO1PYCR1 | |
| SCHEMBL3819192 | 0.69 | IDO1 (0.36) | TAAR1HTR2AIDO1ESR1PYCR1 | |
| SCHEMBL17529688 | 0.67 | TAAR1 (0.41) | TAAR1HTR2AIDO1PYCR1ALDH1A1 | |
| SCHEMBL23242190 | 0.67 | PYCR1 (0.47) | TAAR1HTR2APYCR1ALDH1A1KDM4E | |
| SCHEMBL20004512 | 0.67 | TAAR1 (0.50) | TAAR1HTR2ACYP2A6IDO1EPHX2 | |
| SCHEMBL374707 | 0.66 | — | — | |
| SCHEMBL149101 | 0.66 | — | — |
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-1499603-A1 | ANTIVIRAL LACTONE-UREAS | Bayer Aktiengesellschaft (DE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089421-A1 | ANTIVIRAL LACTONE-UREAS | BAYER HEALTHCARE AG (DE) | 2003-10-30 | — | — | WO | disclosed |