Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 9/20 | 0.61 |
| ▸ | TK1 | P04183 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL571646 | 0.96 | HPRT1 (0.60) | HPRT1TK1NOS1CYP1A2PNP | |
| SCHEMBL3793007 | 0.86 | HPRT1 (0.58) | HPRT1TK1NOS1CYP1A2PNP | |
| SCHEMBL9739844 | 0.85 | HPRT1 (0.60) | HPRT1NOS1PNPNOS3NOS2 | |
| SCHEMBL10511442 | 0.85 | HPRT1 (0.53) | HPRT1TK1NOS1CYP1A2 | |
| SCHEMBL9663134 | 0.85 | HPRT1 (0.55) | HPRT1TK1NOS1 | |
| SCHEMBL6061495 | 0.84 | HPRT1 (0.58) | HPRT1TK1NOS1CYP1A2PNP | |
| SCHEMBL489058 | 0.84 | HPRT1 (0.56) | HPRT1NOS1PNPNOS3NOS2 | |
| SCHEMBL9662657 | 0.84 | HPRT1 (0.56) | HPRT1NOS1CYP1A2NOS3NOS2 | |
| SCHEMBL8842510 | 0.83 | HPRT1 (0.58) | HPRT1NOS1PNP | |
| SCHEMBL9364441 | 0.83 | HPRT1 (0.60) | HPRT1NOS1PNPNOS3NOS2 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0143987-B1 | THERAPEUTIC COMPOSITIONS ENDOWED WITH ANTIVIRAL ACTIVITY | Stendardi, Anna Gioia (IT) | 1989-02-22 | — | — | EP | claimed |
| US-7590493-B2 | Methods for determining hepatotoxins | OCIMUM BIOSOLUTIONS, INC. (US) | 2009-09-15 | — | — | US | disclosed |
| US-20090220970-A1 | MOLECULAR TOXICOLOGY MODELING | OCIMUM BIOSOLUTIONS, INC. | 2009-09-03 | — | — | US | disclosed |
| US-7426441-B2 | Methods for determining renal toxins | OCIMUM BIOSOLUTIONS, INC. (US) | 2008-09-16 | — | — | US | disclosed |
| US-7415358-B2 | Molecular toxicology modeling | OCIMUM BIOSOLUTIONS, INC. (US) | 2008-08-19 | — | — | US | disclosed |
| EP-1476747-A4 | MOLECULAR HEPATOTOXICOLOGY MODELING | OCIMUM BIOSOLUTIONS INC (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070124086-A1 | Molecular nephrotoxicology modeling | OCIMUM BIOSOLUTIONS, INC. | 2007-05-31 | — | — | US | disclosed |
| US-20070093969-A1 | Molecular nephrotoxicology modeling | OCIMUM BIOSOLUTIONS, INC. | 2007-04-26 | — | — | US | disclosed |
| US-20070043515-A1 | Molecular toxicology modeling | GENE LOGIC, INC. | 2007-02-22 | — | — | US | disclosed |
| US-20070027634-A1 | Molecular hepatotoxicology modeling | OCIMUM BIOSOLUTIONS, INC. | 2007-02-01 | — | — | US | disclosed |
| EP-1392871-A4 | MOLECULAR TOXICOLOGY MODELING | GENE LOGIC INC (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20060078900-A1 | Molecular toxicology modeling | GENE LOGIC, INC. | 2006-04-13 | — | — | US | disclosed |
| EP-1563295-A2 | MOLECULAR NEPHROTOXICOLOGY MODELING | Gene Logic, Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1476747-A2 | MOLECULAR HEPATOTOXICOLOGY MODELING | Gene Logic, Inc. (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2004048598-A2 | MOLECULAR NEPHROTOXICOLOGY MODELING | GENE LOGIC, INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| US-20040072160-A1 | Molecular toxicology modeling | OCIMUM BIOSOLUTIONS, INC. | 2004-04-15 | — | — | US | disclosed |
| EP-1392871-A2 | MOLECULAR TOXICOLOGY MODELING | Gene Logic, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2003064624-A2 | MOLECULAR HEPATOTOXICOLOGY MODELING | GENE LOGIC, INC. (US) | 2003-08-07 | — | — | WO | disclosed |
| WO-2002095000-A2 | MOLECULAR TOXICOLOGY MODELING | GENE LOGIC, INC. (US) | 2002-11-28 | — | — | WO | disclosed |
| CN-1058598-A | NEW LINKER FOR BIOACTIVE AGENTS | ERBA CARLO SPA (IT) | 1992-02-12 | — | — | CN | disclosed |