Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | XBP1 | P17861 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.48 |
| ▸ | GRM6 | O15303 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11351745 | 0.86 | ALDH1A1 (0.58) | ALDH1A1HPGDHSD17B10CYP1A2XBP1 | |
| SCHEMBL3493236 | 0.84 | HPGDS (0.60) | ALDH1A1HPGDHSD17B10CYP1A2XBP1 | |
| SCHEMBL16112290 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDHSD17B10CYP1A2XBP1 | |
| SCHEMBL6853119 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10MAPTLMNA | |
| SCHEMBL27321802 | 0.77 | RAB9A (0.63) | ALDH1A1HPGDHSD17B10CYP1A2CYP2C19 | |
| SCHEMBL3496121 | 0.77 | MAPT (0.48) | ALDH1A1HPGDHSD17B10CYP1A2XBP1 | |
| SCHEMBL10172532 | 0.76 | HPGDS (0.60) | ALDH1A1HPGDHSD17B10CYP1A2CYP2C19 | |
| SCHEMBL1753182 | 0.76 | HPGDS (0.60) | ALDH1A1HPGDHSD17B10MAPTLMNA | |
| SCHEMBL16260565 | 0.74 | KDM4E (0.57) | ALDH1A1HPGDHSD17B10MAPTLMNA | |
| SCHEMBL6852929 | 0.74 | CA12 (0.50) | ALDH1A1CYP1A2CYP2C19MAPTSMN1; SMN2 |
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 |