Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | STAT6 | P42226 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20096243 | 0.91 | CCR5 (0.40) | CCR5ALDH1A1FAAHPHGDHMGLL | |
| SCHEMBL20096244 | 0.91 | CCR5 (0.40) | CCR5ALDH1A1FAAHPHGDHMGLL | |
| SCHEMBL13817502 | 0.88 | ALDH1A1 (0.39) | CCR5ALDH1A1CYP3A4CYP2D6KDM4E | |
| SCHEMBL13144573 | 0.85 | CYP3A4 (0.35) | CCR5CYP3A4CYP2D6CCR4 | |
| SCHEMBL3087345 | 0.85 | CYP3A4 (0.35) | CCR5CYP3A4CYP2D6CCR4 | |
| SCHEMBL13902985 | 0.85 | CYP3A4 (0.35) | CCR5CYP3A4CYP2D6CCR4 | |
| Hydrochloric Acid SCHEMBL3092057 | 0.84 | CYP3A4 (0.34) | CCR5CYP3A4CYP2D6CCR4 | |
| SCHEMBL15386556 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL3930922 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL8260203 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2D6SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |