Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | EGFR | P00533 | 7/20 | 0.62 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.62 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.53 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9127304 | 0.88 | CCKAR (0.60) | NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL8985906 | 0.82 | SRD5A2 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29475123 | 0.82 | NPC1 (1.00) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL7208136 | 0.82 | NPC1 (1.00) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| Hydrochloric Acid SCHEMBL16465542 | 0.80 | NPC1 (0.97) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL8769590 | 0.79 | NPC1 (0.82) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL6816854 | 0.78 | NPC1 (0.67) | NPC1RAB9ALMNASMN1; SMN2EGFR | |
| SCHEMBL30741601 | 0.78 | IDO1 (0.61) | NPC1RAB9ALMNASMN1; SMN2KDM4E | |
| SCHEMBL3964905 | 0.78 | IDO1 (0.61) | NPC1RAB9ALMNASMN1; SMN2KDM4E | |
| SCHEMBL8985820 | 0.77 | MMP13 (0.68) | NPC1RAB9ALMNASMN1; SMN2KDM4E |
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-5395849-A | Hybrid antitumor compounds containing a cyclic enediyne and a DNA-binder | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-03-07 | — | — | US | disclosed |