Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL316378 | 0.84 | TSHR (0.48) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7281207 | 0.79 | LMNA (0.39) | NPC1SMN1; SMN2KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL29466485 | 0.77 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL166193 | 0.77 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL8103349 | 0.74 | GSK3B (0.61) | NPC1SMN1; SMN2KMT2AMEN1CYP3A4 | |
| SCHEMBL5798650 | 0.71 | SMN1; SMN2 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11442931 | 0.71 | PGR (0.44) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL9840012 | 0.71 | ALDH1A1 (0.61) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL3702935 | 0.68 | TSHR (0.50) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL27520267 | 0.67 | CA1 (0.53) | RAB9AKMT2AMEN1ALDH1A1CASP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |