Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5432095 | 0.94 | AGXT (0.48) | AGXTCA1CA2CA9RAB9A | |
| Butane SCHEMBL8002745 | 0.87 | IDO1 (0.42) | IDO1ALDH1A1TAAR1 | |
| Butane SCHEMBL9443644 | 0.85 | APP (0.41) | RAB9ANPC1MAOBALDH1A1MAPT | |
| Butane SCHEMBL2802241 | 0.84 | POLB (0.42) | MAOBIDO1HPGDALDH1A1MAPT | |
| Butane SCHEMBL6056712 | 0.84 | IDO1 (0.42) | AGXTMAOBPARP10IDO1HPGD | |
| Butane SCHEMBL1238313 | 0.83 | ALDH1A1 (0.46) | MAOBIDO1ALDH1A1MAPK1 | |
| Butane SCHEMBL3765407 | 0.82 | IDO1 (0.47) | AGXTRAB9ANPC1IDO1ALDH1A1 | |
| Butane SCHEMBL10937269 | 0.81 | ALDH1A1 (0.52) | RAB9ANPC1ALDH1A1 | |
| Butane SCHEMBL6056649 | 0.81 | KMT2A (0.48) | RAB9AMAOBHPGDALDH1A1MAPT | |
| Butane SCHEMBL4668173 | 0.80 | CA12 (0.56) | CA1CA2CA9RAB9ANPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7664625-B2 | Molecular modeling for metalloproteins | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2010-02-16 | — | — | US | disclosed |
| US-20040148149-A1 | Molecular modeling for metalloproteins | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH, A MINNESOTA CORPORATION | 2004-07-29 | — | — | US | disclosed |
| WO-2002070469-A2 | SELECTIVE PDE3B INHIBITORS AND USE OF THE SAME IN THERAPY | ICOS CORPORATION (US) | 2002-09-12 | — | — | WO | disclosed |
| WO-2000078938-A9 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2000078938-A1 | MOLECULAR MODELING FOR METALLOPROTEINS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2000-12-28 | — | — | WO | disclosed |
| US-5728500-A | ELECTROGRAPHY FOR ELECTROLUMINESCENT DEVICE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1998-03-17 | — | — | US | disclosed |