Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31530734 | 0.75 | TDP1 (0.45) | ALDH1A1LMNAKMT2APSIP1TSHR | |
| SCHEMBL28475445 | 0.72 | ALDH1A1 (0.42) | ALDH1A1LMNAKMT2APSIP1MAPT | |
| SCHEMBL14399470 | 0.70 | ALDH1A1 (0.51) | ALDH1A1LMNAKMT2APSIP1TSHR | |
| SCHEMBL12580250 | 0.70 | ALDH1A1 (0.51) | ALDH1A1LMNAKMT2APSIP1TSHR | |
| (Phenylsulfonyl)Benzene SCHEMBL1679634 | 0.70 | HTR6 (0.64) | ALDH1A1KMT2APSIP1TSHRMAPT | |
| SCHEMBL8396495 | 0.69 | PSIP1 (0.48) | ALDH1A1LMNAKMT2APSIP1HPGD | |
| SCHEMBL3618544 | 0.69 | KMT2A (0.47) | ALDH1A1LMNAKMT2APSIP1HPGD | |
| Ether SCHEMBL5149563 | 0.67 | TSHR (0.67) | ALDH1A1LMNAKMT2APSIP1HPGD | |
| SCHEMBL6746194 | 0.67 | PSIP1 (0.61) | ALDH1A1KMT2APSIP1MAPTHTT | |
| SCHEMBL459926 | 0.67 | ALDH1A1 (0.40) | ALDH1A1LMNAKMT2ATSHRMAPT |
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-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | disclosed |