Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL313211 | 0.80 | TSHR (0.64) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL29655535 | 0.80 | TSHR (0.64) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL8478583 | 0.80 | TSHR (0.64) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| Nitrogen SCHEMBL28140075 | 0.76 | TSHR (0.59) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| Bicarbonate SCHEMBL6567102 | 0.72 | HCAR2 (0.52) | NPC1RAB9APKMSMN1; SMN2TP53 | |
| Vinyl Chloride SCHEMBL27987346 | 0.72 | TSHR (0.53) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL45219 | 0.70 | — | — | |
| SCHEMBL29554593 | 0.69 | MAPT (0.52) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL312135 | 0.69 | MAPT (0.52) | TSHRNPC1RAB9APKMSMN1; SMN2 | |
| SCHEMBL703716 | 0.69 | HPGD (0.53) | NPC1RAB9ASMN1; SMN2POLBMEN1 |
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-2576543-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | Laboratorios del Dr. Esteve S.A. (ES) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011147910-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-12-01 | — | — | WO | disclosed |