Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | MAPT | P10636 | 4/20 | 0.70 |
| ▸ | HPGD | P15428 | 3/20 | 0.70 |
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HBB | P68871 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23205461 | 0.88 | NPC1 (0.73) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| Michler'S Ketone SCHEMBL36517 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL194888 | 0.82 | RAB9A (0.83) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL274966 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| Michler'S Ketone SCHEMBL1396486 | 0.80 | ALDH1A1 (0.95) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| Michler'S Ketone SCHEMBL11758312 | 0.80 | ALDH1A1 (0.95) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL3975178 | 0.80 | ALDH1A1 (0.70) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| Michler'S Ketone SCHEMBL6566205 | 0.80 | ALDH1A1 (0.95) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL10001067 | 0.80 | RAB9A (0.77) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL33368 | 0.80 | NPC1 (0.77) | ALDH1A1MAPTHPGDNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015103509-A1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-09 | — | — | WO | disclosed |
| US-7345090-B2 | Galenical formulation | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2008-03-18 | — | — | US | disclosed |
| US-7345090-B2 | Galenical formulation | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2008-03-18 | — | — | US | disclosed |