Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 4/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL23206051 | 0.83 | KDM4E (0.69) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL18134596 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL3971612 | 0.80 | EGFR (0.51) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL14975993 | 0.80 | KDM4E (1.00) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL29351521 | 0.80 | KDM4E (1.00) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL3972947 | 0.79 | EGFR (0.50) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL23110366 | 0.79 | L3MBTL1 (0.52) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL20274220 | 0.79 | RAB9A (0.56) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL26723750 | 0.78 | KDM4E (1.00) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E | |
| SCHEMBL30771685 | 0.78 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP1A2HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| WO-2005087742-A1 | METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES | EXELIXIS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |