Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1380696 | 1.00 | TSHR (0.55) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL1003281 | 0.86 | HTT (0.46) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL3380036 | 0.85 | IRAK4 (0.47) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL10489460 | 0.85 | TSHR (0.59) | TSHRMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2258718 | 0.85 | TSHR (0.59) | TSHRMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL28240556 | 0.84 | TSHR (0.46) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL3974925 | 0.84 | IRAK4 (0.46) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL2848767 | 0.84 | HTT (0.47) | TSHRIRAK4HTTMAPTKDM4E | |
| SCHEMBL14216632 | 0.83 | TSHR (0.57) | TSHRMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL1904536 | 0.83 | TSHR (0.57) | TSHRMAPTKDM4EALDH1A1HPGD |
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-0934264-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998012177-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (JP) | 1998-03-26 | — | — | WO | disclosed |