Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8010341 | 0.94 | TRPV1 (0.38) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8012587 | 0.94 | TRPV1 (0.40) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8008233 | 0.91 | ALDH1A1 (0.38) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8009669 | 0.87 | ALDH1A1 (0.35) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8010017 | 0.82 | ACLY (0.36) | ALDH1A1ATMACLYMAPTTRPV1 | |
| SCHEMBL7999111 | 0.81 | TACR1 (0.41) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8010506 | 0.81 | TACR1 (0.41) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL7998131 | 0.80 | TACR1 (0.41) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL7998664 | 0.80 | TACR1 (0.41) | ALDH1A1RAB9AATMACLYMAPT | |
| SCHEMBL8005747 | 0.79 | ALDH1A1 (0.37) | ALDH1A1RAB9AMAPTL3MBTL1 |
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-2009134987-A1 | DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2009-11-05 | — | — | WO | disclosed |