Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047017 | 1.00 | L3MBTL1 (0.44) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL29732021 | 1.00 | L3MBTL1 (0.44) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL14524820 | 0.88 | ALOX15 (0.44) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL14524842 | 0.88 | ALOX15 (0.44) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL22850476 | 0.88 | L3MBTL1 (0.44) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL22930256 | 0.86 | NPC1 (0.51) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL22930269 | 0.86 | L3MBTL1 (0.41) | L3MBTL1TP53ALOX15TSHRCASP1 | |
| SCHEMBL8667159 | 0.86 | TP53 (0.42) | L3MBTL1TP53ALOX5 | |
| SCHEMBL14127426 | 0.85 | PRSS1 (0.48) | — | |
| SCHEMBL17145027 | 0.84 | NFKB1 (0.41) | TP53ALDH1A1NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7205384-B2 | Process for preparing peptidyl heterocyclic ketone derivatives | ORTHO-MCNEIL PHARMACEUTICAL INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205384-B2 | Process for preparing peptidyl heterocyclic ketone derivatives | ORTHO-MCNEIL PHARMACEUTICAL INC. (US) | 2007-04-17 | — | — | US | disclosed |
| WO-2005023804-A1 | PEPTIDYL HETEROCYCLIC KETONE DERIVATIVES AND PREPARATION PROCESSES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-03-17 | — | — | WO | disclosed |