Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9131912 | 0.77 | CYP19A1 (0.70) | CYP19A1SMN1; SMN2 | |
| SCHEMBL3262446 | 0.73 | MPO (0.57) | TAAR1IDO1TSHRCA12CA2 | |
| SCHEMBL27383724 | 0.73 | CYP11B1 (0.61) | CYP2A13TAAR1SMN1; SMN2LMNAHTT | |
| SCHEMBL10500678 | 0.73 | ALDH1A1 (0.52) | CYP2A13TAAR1IDO1ALDH1A1TSHR | |
| SCHEMBL11482473 | 0.73 | KDM4E (0.41) | CYP19A1SMN1; SMN2ALDH1A1L3MBTL1LMNA | |
| Bromide SCHEMBL2535574 | 0.72 | CYP2A13 (0.37) | CYP2A13TAAR1CYP19A1IDO1ALDH1A1 | |
| SCHEMBL12220151 | 0.70 | CYP2A13 (0.50) | CYP2A13TAAR1IDO1ALDH1A1ATM | |
| SCHEMBL7447200 | 0.70 | CYP2A13 (0.70) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL29351396 | 0.69 | TAAR1 (0.71) | CYP2A13TAAR1IDO1ALDH1A1TSHR | |
| SCHEMBL8703610 | 0.69 | TAAR1 (0.64) | CYP2A13TAAR1IDO1ALDH1A1TSHR |
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-108358923-A | Sophoridine pyrroles, indole derivatives and the preparation method and application thereof | 广西大学 | 2018-08-03 | — | — | CN | claimed |