Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4338413 | 0.82 | SSTR4 (0.49) | POLB | |
| SCHEMBL20820319 | 0.81 | MGLL (0.62) | PARP1HCRTR1HCRTR2MGLLHPGD | |
| Bromide SCHEMBL3276496 | 0.81 | SSTR4 (0.48) | — | |
| SCHEMBL11799044 | 0.80 | POLB (0.61) | POLBHPGDTSHRRECQLKDM4E | |
| SCHEMBL8257527 | 0.79 | HPGD (0.52) | HCRTR1HCRTR2POLBHPGDTSHR | |
| SCHEMBL1502069 | 0.77 | PARP1 (1.00) | PARP1HCRTR1HCRTR2MGLLHPGD | |
| SCHEMBL729580 | 0.77 | PARP1 (0.74) | PARP1HCRTR1HCRTR2MGLLALDH1A1 | |
| Hydrochloric Acid SCHEMBL7265489 | 0.76 | PARP1 (0.72) | PARP1HCRTR1HCRTR2MGLLALDH1A1 | |
| SCHEMBL3360298 | 0.76 | PARP1 (0.72) | PARP1HCRTR1HCRTR2MGLLHPGD | |
| SCHEMBL1021074 | 0.76 | PARP1 (0.72) | PARP1HCRTR1HCRTR2MGLLMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3594202-B1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-08-11 | — | — | EP | disclosed |