Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.54 |
| ▸ | HTR2B | P41595 | 2/20 | 0.54 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5093610 | 1.00 | HTR2C (0.54) | HTR2CHTR2BACKR3HPGDHDAC1 | |
| SCHEMBL5097607 | 0.82 | HTR2C (0.49) | HTR2CHTR2BHDAC1NPC1RAB9A | |
| SCHEMBL1749514 | 0.80 | HTR2C (0.73) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| SCHEMBL7874030 | 0.80 | HTR2C (0.77) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| SCHEMBL5154669 | 0.80 | HTR2C (0.77) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| SCHEMBL1789145 | 0.80 | HTR2C (0.77) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| Hydrochloric Acid SCHEMBL18337901 | 0.79 | HTR2C (0.75) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| Hydrochloric Acid SCHEMBL4368425 | 0.79 | HTR2C (0.75) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| Hydrochloric Acid SCHEMBL7607289 | 0.79 | HTR2C (0.75) | HTR2CHTR2BHPGDHDAC1KDM4E | |
| SCHEMBL5106987 | 0.76 | DRD2 (0.54) | ACKR3HPGDNPC1RAB9AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7417062-B2 | e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer | CHEMOCENTRYX, INC. (US) | 2008-08-26 | — | — | US | claimed |
| WO-2006038989-A1 | SUBSTITUTED ARYLAMIDES | CHEMOCENTRYX, INC. (US) | 2006-04-13 | — | — | WO | disclosed |