Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL596947 | 0.82 | — | — | |
| SCHEMBL30267598 | 0.82 | — | — | |
| SCHEMBL1180219 | 0.76 | ALDH1A1 (0.41) | ALDH1A1KDM4ENPC1CA12GMNN | |
| SCHEMBL28842750 | 0.74 | FFAR1 (0.35) | LMNAMAPTFFAR1 | |
| SCHEMBL8955706 | 0.71 | APP (0.45) | ALDH1A1KDM4ENPC1CA12GMNN | |
| Questiomycin B SCHEMBL29164263 | 0.71 | ALOX15 (0.62) | ALDH1A1KDM4ENPC1CA12GMNN | |
| Pyridine SCHEMBL2806204 | 0.69 | HDAC8 (0.37) | ALDH1A1KDM4ENPC1CA12GMNN | |
| SCHEMBL1808224 | 0.66 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1CA12GMNN | |
| Naphthalene SCHEMBL28609503 | 0.65 | CYP2A6 (0.47) | ALDH1A1CA2CYP3A4CA4HSD17B10 | |
| SCHEMBL29549283 | 0.64 | HDAC8 (0.36) | ALDH1A1KDM4ENPC1LMNACYP3A4 |
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-6171664-B1 | TOLAN DERIVATIVES ARE USEFUL AS ELECTRO-OPTICAL DISPLAY; CHEMICAL, HEAT AND RADIATION RESISTANCE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2001-01-09 | — | — | US | disclosed |