Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 2/20 | 0.54 |
| ▸ | MMP3 | P08254 | 2/20 | 0.54 |
| ▸ | MMP9 | P14780 | 2/20 | 0.54 |
| ▸ | MMP8 | P22894 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14261305 | 0.94 | HPGD (0.58) | HPGDHTTRECQLPARP1MAPT | |
| SCHEMBL14261304 | 0.90 | MMP2 (0.57) | HPGDHTTRECQLMAPTMMP2 | |
| SCHEMBL7846913 | 0.82 | HPGD (0.74) | HPGDHTTRECQLMAPTALDH1A1 | |
| SCHEMBL7847683 | 0.80 | HPGD (0.79) | HPGDHTTRECQLMAPTALDH1A1 | |
| SCHEMBL7848819 | 0.80 | MMP2 (0.68) | RECQLMAPTMMP2MMP3MMP9 | |
| SCHEMBL7154380 | 0.79 | ALDH1A1 (0.64) | HPGDHTTPARP1MAPTALDH1A1 | |
| SCHEMBL21766236 | 0.79 | ALDH1A1 (0.64) | HPGDHTTPARP1MAPTALDH1A1 | |
| SCHEMBL5969797 | 0.79 | ALDH1A1 (0.64) | HPGDHTTPARP1MAPTALDH1A1 | |
| SCHEMBL7849079 | 0.78 | HPGD (0.93) | HPGDHTTRECQLMAPTALDH1A1 | |
| SCHEMBL7851490 | 0.78 | HTT (0.88) | HPGDHTTRECQLMAPTALDH1A1 |
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-1140914-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037462-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2000-06-29 | — | — | WO | disclosed |