Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20945353 | 0.87 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9ACASP3SENP8 | |
| SCHEMBL28107475 | 0.82 | HPGD (0.40) | ALDH1A1NPC1RAB9ACASP3SENP8 | |
| SCHEMBL27694609 | 0.80 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4 | |
| SCHEMBL442437 | 0.79 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ACASP3SENP8 | |
| SCHEMBL18945561 | 0.79 | FFAR1 (0.46) | ALDH1A1NPC1RAB9AFFAR1CYP1A2 | |
| SCHEMBL556901 | 0.78 | TAAR1 (0.40) | MAPTHPGDSMN1; SMN2 | |
| SCHEMBL4618290 | 0.78 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ACASP3SENP8 | |
| SCHEMBL17941764 | 0.78 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ACASP3SENP8 | |
| SCHEMBL5255523 | 0.76 | ALDH1A1 (0.65) | ALDH1A1RAB9ACYP1A2CYP2C19KDM4E | |
| SCHEMBL3623135 | 0.76 | KDM4E (0.43) | ALDH1A1NPC1RAB9ATDP1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3215509-A1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Lysosomal Therapeutics Inc. (US) | 2017-09-13 | — | — | EP | disclosed |
| WO-2016073891-A1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC. (US) | 2016-05-12 | — | — | WO | disclosed |