Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28546185 | 0.81 | SMN1; SMN2 (0.42) | NPC1RAB9AHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL28548203 | 0.81 | SMN1; SMN2 (0.44) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28537622 | 0.73 | ADORA3 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL28532820 | 0.73 | SMN1; SMN2 (0.47) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28538276 | 0.71 | SMN1; SMN2 (0.50) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1758790 | 0.67 | KCNA5 (0.52) | HPGDTSHRALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29416178 | 0.67 | KCNA5 (0.52) | HPGDTSHRALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28364890 | 0.67 | ESR1 (0.63) | NPC1RAB9AHPGDTSHRALDH1A1 | |
| SCHEMBL7453636 | 0.67 | PTGS2 (0.45) | NPC1RAB9ATSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL13015667 | 0.67 | CYP11B2 (0.58) | NPC1RAB9ACYP11B1CYP11B2HPGD |
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-109810112-B | Preparation method of indolo [2,1-a ] phthalazine derivative | 华侨大学 | 2021-03-23 | — | — | CN | disclosed |