Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.40 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19720678 | 0.93 | PDK1 (0.43) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL18261072 | 0.81 | RAB9A (0.47) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL24268665 | 0.81 | RAB9A (0.47) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL18261074 | 0.81 | RAB9A (0.47) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL241262 | 0.81 | RAB9A (0.47) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL19720734 | 0.80 | GABRR1 (0.43) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21889587 | 0.80 | GABRR1 (0.43) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28074921 | 0.77 | RAB9A (0.55) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL21872342 | 0.75 | RAB9A (0.53) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL24371931 | 0.75 | PDK1 (0.43) | RAB9ANPC1L3MBTL1ALDH1A1SMN1; 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-2020055973-A1 | ESTROGEN RECEPTOR TARGETING ANTAGONISTS | XAVIER UNIVERSITY OF LOUISIANA (US) | 2020-03-19 | — | — | WO | disclosed |