Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7999111 | 0.89 | TACR1 (0.41) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL8010506 | 0.89 | TACR1 (0.41) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL7998131 | 0.88 | TACR1 (0.41) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL7998664 | 0.88 | TACR1 (0.41) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL8010958 | 0.86 | TACR1 (0.39) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL8009669 | 0.81 | ALDH1A1 (0.35) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL10260395 | 0.80 | MAPT (0.35) | ALDH1A1RAB9AATMMAPTPOLB | |
| SCHEMBL8009641 | 0.80 | TACR1 (0.39) | TACR1ALDH1A1RAB9AATMACLY | |
| SCHEMBL10292930 | 0.79 | MAPT (0.38) | ALDH1A1RAB9AATMMAPTPOLB | |
| SCHEMBL8008671 | 0.79 | ALDH1A1 (0.36) | ALDH1A1RAB9AL3MBTL1HCRTR2 |
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 |