Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.45 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29413067 | 0.85 | CYP1A2 (0.60) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL3343900 | 0.85 | CYP1A2 (0.60) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL12486014 | 0.85 | CYP1A2 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL1229467 | 0.84 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| Pyrene SCHEMBL28151585 | 0.84 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL29831525 | 0.84 | CYP1A2 (0.53) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL28607821 | 0.84 | CYP1A2 (0.44) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL23062728 | 0.82 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16171232 | 0.81 | ALDH1A1 (0.60) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4847786 | 0.81 | CYP1A2 (0.71) | CYP1A2ERBB2FYNMAOAACHE |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2989578-B1 | SYSTEMS AND METHODS FOR USING MECHANISTIC NETWORK MODELS IN SYSTEMS TOXICOLOGY | PHILIP MORRIS PRODUCTS SA (CH) | 2023-03-29 | — | — | EP | disclosed |
| CN-105308604-B | System and method for using mechanistic network models in system toxicology | 菲利普莫里斯生产公司 | 2019-10-11 | — | — | CN | disclosed |
| US-20160063176-A1 | SYSTEMS AND METHODS FOR USING MECHANISTIC NETWORK MODELS IN SYSTEMS TOXICOLOGY | PHILIP MORRIS PRODUCTS S.A. (CH) | 2016-03-03 | — | — | US | disclosed |
| EP-2989578-A1 | SYSTEMS AND METHODS FOR USING MECHANISTIC NETWORK MODELS IN SYSTEMS TOXICOLOGY | Philip Morris Products S.A. (CH) | 2016-03-02 | — | — | EP | disclosed |
| WO-2014173912-A1 | SYSTEMS AND METHODS FOR USING MECHANISTIC NETWORK MODELS IN SYSTEMS TOXICOLOGY | PHILIP MORRIS PRODUCTS S.A. (CH) | 2014-10-30 | — | — | WO | disclosed |
| EP-0555315-B1 | HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES | GENTEST CORP (US) | 2004-04-28 | — | — | EP | disclosed |
| EP-0861268-B1 | INHIBITORY AND NON-INHIBITORY ANTIGEN BINDING POLYPEPTIDES AGAINST HUMAN P450 ENZYMES | US HEALTH (US) | 2002-10-02 | — | — | EP | disclosed |
| US-5635369-A | DIPLOID CELLS HAVING GENOME CONTAINING CONTROLLABLE HETEROLOGOUS CYTOCHROME GENE WHICH EXPRESSES MONOOXYGENASE ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1997-06-03 | — | — | US | disclosed |
| EP-0595948-B1 | YEAST STRAINS WITH STABLE INTEGRATION OF HETEROLOGOUS GENES | CENTRE NAT RECH SCIENT (FR) | 1997-05-21 | — | — | EP | disclosed |
| US-5525482-A | EXPOSING HUMAN TEST CELLS, TRANSFORMED TO EXPRESSCYTOCHROME P450 ENZYMES, TO TOXIC MATERIALS; DETECTING GENE DAMAGE | WAYNE STATE UNIVERSITY (US) | 1996-06-11 | — | — | US | disclosed |
| US-5429948-A | Human cell line stably expressing 5cDNAS encoding procarcinogen-activating enzymes and related mutagenicity assays | GENTEST CORPORATION (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0555315-A4 | HUMAN CELL LINE STABLY EXPRESSING 5CDNAS ENCODING PROCARCINOGEN-ACTIVATING ENZYMES | GENTEST CORP (US) | 1994-08-17 | — | — | EP | disclosed |
| EP-0595948-A1 | YEAST STRAINS WITH STABLE INTEGRATION OF HETEROLOGOUS GENES. | CENTRE NAT RECH SCIENT (FR) | 1994-05-11 | — | — | EP | disclosed |
| EP-0555315-A1 | HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES | GENTEST CORPORATION (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1993002200-A1 | YEAST STRAINS WITH STABLE INTEGRATION OF HETEROLOGOUS GENES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1993-02-04 | — | — | WO | disclosed |
| WO-1992007085-A1 | HUMAN CELL LINE STABLY EXPRESSING 5cDNAs ENCODING PROCARCINOGEN-ACTIVATING ENZYMES | GENTEST CORPORATION (US) | 1992-04-30 | — | — | WO | disclosed |