Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24508433 | 0.80 | PTGS1 (0.40) | MAPTMAOBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL30679663 | 0.80 | RORB (0.49) | RAB9ANPC1IDO1MEN1KMT2A | |
| SCHEMBL16399829 | 0.80 | HSD17B1 (0.46) | — | |
| SCHEMBL29923072 | 0.80 | RAB9A (0.36) | ALDH1A1RAB9AMAPTHPGDHK1 | |
| SCHEMBL6822436 | 0.79 | PTGS1 (0.40) | ALDH1A1RAB9AMAPTPRKDCSMN1; SMN2 | |
| SCHEMBL2461016 | 0.78 | BCAT2 (0.47) | ALDH1A1RAB9AMAPTHPGDPRKDC | |
| SCHEMBL31411259 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MAPTHPGDERN1CYP2A6 | |
| SCHEMBL11708849 | 0.74 | PTPN5 (0.39) | MEN1KMT2A | |
| SCHEMBL28505007 | 0.74 | RAB9A (0.41) | ALDH1A1RAB9AMAPTHPGDHK1 | |
| SCHEMBL5807615 | 0.74 | MAPT (0.41) | ALDH1A1RAB9AMAPTHPGDSMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-112500402-B | Aryl-five-membered heteroaryl substituted pyrimidinediamine micromolecule compound with antibacterial activity and application thereof | 华东师范大学 | 2022-09-20 | — | — | CN | disclosed |