Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HAAO | P46952 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6974190 | 0.80 | ALDH1A1 (0.49) | SMN1; SMN2MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL843489 | 0.78 | CYP1A2 (0.48) | TSHRHSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL842987 | 0.77 | FOLH1 (0.49) | TSHRHSD17B10SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL27547124 | 0.76 | KDM4E (0.43) | HSD17B10SMN1; SMN2MEN1KMT2APOLB | |
| SCHEMBL4140940 | 0.74 | CA9 (0.51) | — | |
| SCHEMBL128319 | 0.73 | CYP1A2 (0.58) | TSHRHSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL31389208 | 0.73 | CYP1A2 (0.58) | TSHRHSD17B10SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28503156 | 0.71 | EGFR (0.52) | TSHRHSD17B10SMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL29137499 | 0.71 | CYP1A2 (0.55) | TSHRHSD17B10SMN1; SMN2MEN1KMT2A | |
| Ethylene Glycol SCHEMBL25205438 | 0.69 | CYP1A2 (0.48) | TSHRHSD17B10MEN1KMT2ATDP1 |
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-1951708-A2 | PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007050375-A2 | PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION (US) | 2007-05-03 | — | — | WO | disclosed |