Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733754 | 0.87 | ALDH1A1 (0.44) | ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2 | |
| SCHEMBL9734269 | 0.86 | ALDH1A1 (0.41) | ALDH1A1KDM4EPTGESALOX5MAPT | |
| SCHEMBL9735004 | 0.81 | CA5A (0.44) | ALDH1A1KDM4EGAA | |
| SCHEMBL9734773 | 0.80 | GAA (0.41) | ALDH1A1KDM4EKMT2AGAAPOLB | |
| SCHEMBL9734745 | 0.80 | BRD4 (0.39) | KDM4EHSD17B10NPSR1L3MBTL1LMNA | |
| SCHEMBL9733669 | 0.77 | ALDH1A1 (0.48) | ALDH1A1KDM4ERAB9APTGESALOX5 | |
| SCHEMBL9733613 | 0.77 | GRK2 (0.36) | ALDH1A1RAB9AKMT2ANPC1MEN1 | |
| SCHEMBL9734321 | 0.76 | MAPT (0.46) | ALDH1A1KDM4EMAPTTDP1SMN1; SMN2 | |
| SCHEMBL9734947 | 0.73 | ALDH1A1 (0.38) | ALDH1A1RAB9AMAPTSMN1; SMN2NPC1 | |
| SCHEMBL17324355 | 0.72 | PTGES (0.48) | ALDH1A1KDM4ERAB9APTGESALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |