Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL21030812 | 0.76 | THRA (0.47) | ALDH1A1KMT2ATHRBESR1THRA | |
| SCHEMBL20172629 | 0.75 | FAAH (0.42) | ALDH1A1MAPTKMT2AL3MBTL1CA2 | |
| SCHEMBL22338185 | 0.75 | CYP3A4 (0.46) | ALDH1A1KMT2ATHRBESR1THRA | |
| SCHEMBL20039714 | 0.74 | THRA (0.55) | ALDH1A1KMT2ATHRBESR1THRA | |
| SCHEMBL20408086 | 0.73 | ESR1 (0.46) | NPC1ALDH1A1MAPTRAB9AKMT2A | |
| SCHEMBL171763 | 0.68 | ALDH1A1 (0.61) | ALDH1A1RAB9AESR1ESR2LPL | |
| SCHEMBL19034263 | 0.68 | CA1 (0.46) | NPC1ALDH1A1RAB9ATHRBESR1 | |
| SCHEMBL12922766 | 0.68 | LPL (0.56) | NPC1ALDH1A1MAPTRAB9AKMT2A | |
| SCHEMBL25922211 | 0.67 | LPL (0.45) | NPC1ALDH1A1MAPTRAB9AKMT2A | |
| SCHEMBL11887139 | 0.66 | LPL (0.54) | NPC1ALDH1A1MAPTRAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9616064-B2 | Rho kinase inhibitors and methods of use | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2017-04-11 | — | — | US | disclosed |