Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6850650 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MMP2MMP12MELKNPC1 | |
| SCHEMBL6227667 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MMP2MMP12MELKNPC1 | |
| SCHEMBL6852735 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MMP2MMP12MELKNPC1 | |
| SCHEMBL11557111 | 0.78 | MMP2 (0.43) | ALDH1A1MMP2MMP12MELKHRH3 | |
| SCHEMBL6876228 | 0.77 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL6850648 | 0.76 | ALDH1A1 (0.57) | ALDH1A1MMP2MMP12MELKNPC1 | |
| SCHEMBL81530 | 0.76 | MMP2 (0.47) | ALDH1A1MMP2MMP12MELKSMN1; SMN2 | |
| SCHEMBL9672111 | 0.75 | MMP2 (0.50) | ALDH1A1MMP2MMP12MELKSMN1; SMN2 | |
| SCHEMBL6881921 | 0.73 | NPC1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL17629994 | 0.73 | NPC1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1 |
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-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |