Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203389 | 0.82 | ALDH1A1 (0.34) | ALDH1A1HPGDPOLBTSHRTDP1 | |
| SCHEMBL6204515 | 0.75 | TSHR (0.31) | TSHR | |
| SCHEMBL7493491 | 0.63 | OPRM1 (0.43) | ALDH1A1KMT2ACCR5 | |
| SCHEMBL6206698 | 0.63 | KDM4E (0.38) | MAPTTSHRKMT2ASMN1; SMN2 | |
| SCHEMBL5099682 | 0.63 | KMT2A (0.39) | KMT2A | |
| SCHEMBL4765023 | 0.61 | CTSD (0.38) | — | |
| SCHEMBL3285958 | 0.58 | ALDH1A1 (0.53) | ALDH1A1HPGDMEN1MAPTTSHR | |
| Piperazine SCHEMBL635835 | 0.58 | CES2 (0.52) | ALDH1A1POLBCHRNB2CHRNA7CHRNA4 | |
| SCHEMBL12531247 | 0.58 | ALDH1A1 (0.64) | ALDH1A1HPGDMEN1TSHRKMT2A | |
| SCHEMBL16475935 | 0.58 | CPN1 (0.47) | MEN1MAPTKMT2A |
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-1539178-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004017911-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |