Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20096230 | 1.00 | CCR5 (0.47) | CCR5BRD4GFERNPC1RAB9A | |
| SCHEMBL20096210 | 1.00 | CCR5 (0.47) | CCR5BRD4GFERNPC1RAB9A | |
| SCHEMBL27324190 | 0.91 | CCR5 (0.41) | CCR5BRD4ALDH1A1PKMDPP4 | |
| SCHEMBL20095805 | 0.88 | CCR5 (0.47) | CCR5GFERNPC1RAB9AKMT2A | |
| SCHEMBL27324191 | 0.82 | PKM (0.36) | CCR5BRD4PKMDPP4KCNH2 | |
| SCHEMBL18346747 | 0.81 | CCR5 (0.53) | CCR5GFERKMT2AALDH1A1PKM | |
| SCHEMBL13817646 | 0.80 | CCR5 (0.46) | CCR5BRD4GFERKMT2AALDH1A1 | |
| SCHEMBL2743218 | 0.78 | BCHE (0.47) | KMT2AALDH1A1PKMDPP4BCHE | |
| SCHEMBL14155735 | 0.78 | BCHE (0.47) | KMT2AALDH1A1PKMDPP4BCHE | |
| SCHEMBL12225732 | 0.78 | BCHE (0.47) | KMT2AALDH1A1PKMDPP4BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008045564-A2 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR | EPIX DELAWARE, INC. (US) | 2008-04-17 | — | — | WO | claimed |
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |