Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methyl Benzoate SCHEMBL27799326 | 0.85 | TSHR (0.56) | TSHRKMT2AHPGDRAB9AMAPT | |
| Methyl Benzoate SCHEMBL27554257 | 0.83 | TSHR (0.66) | TSHRKMT2AHPGDRAB9AMAPT | |
| Methyl Benzoate SCHEMBL27817850 | 0.81 | TSHR (0.63) | TSHRKMT2AHPGDLOXL2RAB9A | |
| Methyl Benzoate SCHEMBL31470811 | 0.77 | TSHR (0.95) | TSHRKMT2AHPGDRAB9AMAPT | |
| Methyl Benzoate SCHEMBL11118577 | 0.77 | TSHR (0.95) | TSHRKMT2AHPGDRAB9AMAPT | |
| Methyl Benzoate SCHEMBL28244665 | 0.76 | TSHR (0.76) | TSHRKMT2AHPGDRAB9AMAPT | |
| Methyl Benzoate SCHEMBL28354398 | 0.76 | TSHR (0.76) | TSHRKMT2AHPGDRAB9AMAPT | |
| SCHEMBL12959086 | 0.75 | NPC1 (0.53) | KMT2ANPC1SMN1; SMN2 | |
| Methyl Benzoate SCHEMBL27839065 | 0.75 | TSHR (0.91) | TSHRKMT2AHPGDLOXL2RAB9A | |
| Methyl Benzoate SCHEMBL29105567 | 0.75 | TSHR (1.00) | TSHRKMT2AHPGDRAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102741257-B | Spiroindolinone pyrrolidines | HOFFMANN LA ROCHE | 2015-03-04 | — | — | CN | disclosed |