Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.59 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.59 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.59 |
| ▸ | ME2 | P23368 | 1/20 | 0.59 |
| ▸ | ME1 | P48163 | 1/20 | 0.59 |
| ▸ | ME3 | Q16798 | 1/20 | 0.59 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.58 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6893687 | 0.88 | ALDH1A1 (0.79) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL11147683 | 0.85 | ALDH1A1 (0.90) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL6795359 | 0.83 | ALDH1A1 (0.94) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL14192211 | 0.83 | ALDH1A1 (0.72) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL8009141 | 0.82 | ALDH1A1 (0.69) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL7511057 | 0.81 | ALDH1A1 (0.68) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL17616061 | 0.81 | ALDH1A1 (0.68) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL793647 | 0.81 | ALDH1A1 (0.68) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL7434820 | 0.81 | ALDH1A1 (0.68) | NPC1TP53RAB9AALDH1A1KDM4E | |
| SCHEMBL10122851 | 0.81 | LMNA (1.00) | NPC1ALDH1A1KDM4ELMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |