Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.49 |
| ▸ | RAB9A | P51151 | 12/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28772850 | 0.85 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL27110794 | 0.84 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL28154237 | 0.83 | RAB9A (0.44) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL28135933 | 0.79 | SMN1; SMN2 (0.73) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL13930812 | 0.77 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL474978 | 0.77 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL28451522 | 0.75 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL28409729 | 0.75 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1310724 | 0.74 | ABL1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL28467605 | 0.74 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2MAPTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106866563-B | Method for preparing 2, 4-disubstituted-1, 3,5 triazine derivative | 中国科学院大连化学物理研究所 | 2020-02-14 | — | — | CN | disclosed |
| CN-106866563-A | A kind of method for preparing the pyrrolotriazine derivatives of bis- substitutions of 2,4- -1,3,5 | 中国科学院大连化学物理研究所 | 2017-06-20 | — | — | CN | disclosed |