Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 2/20 | 0.55 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.55 |
| ▸ | ACE | P12821 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5449484 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL21514157 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4228170 | 0.84 | ALDH1A1 (0.61) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL8244656 | 0.81 | DPP8 (0.68) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL5448560 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL9138110 | 0.77 | DPP8 (0.66) | KDM4ETAAR1MEN1KMT2ARAB9A | |
| SCHEMBL18689693 | 0.77 | NOTUM (0.68) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL13884531 | 0.77 | USP2 (0.57) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL13487186 | 0.76 | NOTUM (0.67) | ALDH1A1KDM4ETAAR1MEN1KMT2A | |
| SCHEMBL303340 | 0.76 | NOTUM (0.67) | ALDH1A1KDM4ETAAR1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1495009-B1 | CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMA (US) | 2008-03-12 | — | — | EP | disclosed |
| US-6878706-B1 | Cyanamides useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-04-12 | — | — | US | disclosed |
| EP-1495009-A2 | CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086325-A2 | CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-10-23 | — | — | WO | disclosed |