Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2435577 | 0.83 | CASR (0.60) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL21950457 | 0.79 | CYP1A2 (0.51) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL21950454 | 0.78 | CYP1A2 (0.56) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL6691694 | 0.78 | NPC1 (0.60) | RAB9ANPC1CA12CA1CA2 | |
| SCHEMBL14470418 | 0.76 | CYP1A2 (0.57) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL8670900 | 0.76 | NPC1 (0.60) | CYP1A2HTR2BRAB9ANPC1KDM4E | |
| 2-Acetylaminofluorene SCHEMBL21114365 | 0.76 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL75140 | 0.76 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| SCHEMBL14728757 | 0.76 | CYP1A2 (0.72) | CYP1A2ADRA2AMAOASLC6A2HTR2C | |
| 2-Acetylaminofluorene SCHEMBL29829339 | 0.76 | CYP1A2 (1.00) | CYP1A2ADRA2AMAOASLC6A2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-5530026-A | WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY | UNIVERSITE LAVAL (CA) | 1996-06-25 | — | — | US | claimed |
| WO-2004106292-A1 | HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| WO-2004106291-A1 | HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| US-5530026-A | WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY | UNIVERSITE LAVAL (CA) | 1996-06-25 | — | — | US | disclosed |