Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6708912 | 0.88 | NPC1 (0.70) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL10875637 | 0.81 | MGLL (0.55) | NPC1RAB9AKMT2ASMN1; SMN2RECQL | |
| SCHEMBL8282497 | 0.76 | NPC1 (0.57) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL27640134 | 0.76 | CA12 (0.61) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7079619 | 0.75 | NPC1 (0.70) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2454494 | 0.75 | ALDH1A1 (0.59) | NPC1RAB9AKMT2ASMN1; SMN2LMNA | |
| SCHEMBL2320061 | 0.74 | SMN1; SMN2 (0.77) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL29664470 | 0.74 | MAOA (0.56) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL18394876 | 0.74 | MAOA (0.56) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2233522 | 0.73 | NPC1 (0.69) | NPC1RAB9AKMT2ASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996019437-A9 | 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME | — | 1996-09-06 | — | — | WO | disclosed |