Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | SOX18 | P35713 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.44 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102861 | 0.84 | HTR2A (0.57) | CYP1A2HTR2AHTR2CHTR2BCYP2A6 | |
| SCHEMBL2482277 | 0.78 | HTR2A (0.53) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL7900491 | 0.78 | HTR2A (0.53) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL26846103 | 0.78 | HTR2A (0.56) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL20306138 | 0.75 | CYP1A2 (0.50) | CYP1A2HTR2AHTR2CHTR2BSOX18 | |
| SCHEMBL24851230 | 0.75 | HTR2A (0.53) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL28648389 | 0.75 | HTR2A (0.53) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL27862101 | 0.74 | CYP1A2 (0.57) | CYP1A2SOX18HDAC1HDAC8SLC13A5 | |
| SCHEMBL18269436 | 0.74 | CYP1A2 (0.57) | CYP1A2HTR2AHTR2CHTR2BCES2 | |
| SCHEMBL8190010 | 0.73 | SIGMAR1 (0.53) | CYP1A2HTR2AHTR2CHTR2BCES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | disclosed |