Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8842818 | 0.75 | CA12 (0.51) | CA12ALPLCA9ALDH1A1HSP90AA1 | |
| SCHEMBL6852927 | 0.74 | ALDH1A1 (0.55) | ALPLALDH1A1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7829911 | 0.71 | RAB9A (0.48) | CA12ALPLHSP90AA1RAB9ASMN1; SMN2 | |
| SCHEMBL7829159 | 0.67 | ALPL (0.49) | ALPLALDH1A1HSP90AA1RAB9ASMN1; SMN2 | |
| SCHEMBL1413995 | 0.67 | ALPL (1.00) | CA12ALPLCA9RAB9ASMN1; SMN2 | |
| SCHEMBL9052388 | 0.65 | SMN1; SMN2 (0.40) | ALDH1A1RAB9ASMN1; SMN2NPC1NOTUM | |
| SCHEMBL7571621 | 0.65 | POLB (0.54) | ALPLCA9ALDH1A1HSP90AA1RAB9A | |
| SCHEMBL8077189 | 0.64 | HCAR2 (0.44) | CA12ALPLALDH1A1HSP90AA1RAB9A | |
| SCHEMBL10243658 | 0.64 | ALDH1A1 (0.87) | ALDH1A1RAB9ASMN1; SMN2NPC1RXRA | |
| SCHEMBL403155 | 0.64 | ALDH1A1 (0.87) | ALDH1A1RAB9ASMN1; SMN2NPC1RXRA |
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-1417175-A1 | SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003016283-A1 | SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES THEIR PREPARATION AND USE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-02-27 | — | — | WO | disclosed |