Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | MC5R | P33032 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31417957 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL3723399 | 0.94 | CYP1A2 (0.42) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL636210 | 0.92 | CYP1A2 (0.35) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL29799862 | 0.92 | CYP1A2 (0.35) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL3716318 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL6008132 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP2A6PYCR1HTR2AHTR2C | |
| SCHEMBL29589483 | 0.78 | KMT2A (0.33) | CYP1A2CYP2A6KMT2ARAB9A | |
| SCHEMBL14118949 | 0.78 | KMT2A (0.33) | CYP1A2CYP2A6KMT2ARAB9A | |
| SCHEMBL12630751 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL6437951 | 0.78 | MIF (0.44) | CYP1A2KMT2ARAB9A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010112946-A1 | ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING | RUDJER BOSKOVIC INSTITUTE (HR) | 2010-10-07 | — | — | WO | claimed |
| WO-2010112946-A1 | ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING | RUDJER BOSKOVIC INSTITUTE (HR) | 2010-10-07 | — | — | WO | disclosed |
| US-6335324-B1 | TREATING ASTHMA OR ALLERGIC RHINITIS | BRISTOL-MYERS SQUIBB CO. | 2002-01-01 | — | — | US | disclosed |
| EP-1089973-A4 | AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1089973-A1 | AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| US-6040289-A | ACTIVE DRUG TREATING OBESITY | DR. KARL THOMAE GMBH (DE) | 2000-03-21 | — | — | US | disclosed |
| WO-1999067215-A1 | AMIDINO AND GUANIDINO AZETIDINONE TRYPTASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-12-29 | — | — | WO | disclosed |
| EP-0865426-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS | Dr. Karl Thomae GmbH (DE) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997019914-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |