Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL752932 | 0.77 | RAB9A (0.52) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL31064867 | 0.76 | KDM4E (0.58) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL1395300 | 0.76 | KDM4E (0.58) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL5356685 | 0.73 | CYP19A1 (0.49) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL28064040 | 0.70 | PDPK1 (0.49) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL4470259 | 0.70 | KDM4E (0.55) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL16900278 | 0.68 | KDM4E (0.53) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL29871158 | 0.68 | GRM5 (0.51) | KDM4ERAB9ANPC1MAPTGLA | |
| SCHEMBL637900 | 0.66 | RAB9A (0.42) | RAB9ANPC1MAPTPOLBALDH1A1 | |
| Pyridine SCHEMBL28259846 | 0.66 | NOTUM (0.41) | KDM4ERAB9ANPC1ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |
| EP-1192127-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | Agouron Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078708-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |