Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10644637 | 0.81 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL4405832 | 0.79 | CYP1A2 (0.50) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL14864887 | 0.76 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL30151959 | 0.74 | SYK (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL19145052 | 0.74 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL5196384 | 0.73 | GDA (0.40) | NPC1RAB9ASMN1; SMN2KDM4EPOLB | |
| SCHEMBL16011604 | 0.73 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL12181167 | 0.72 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL4411497 | 0.72 | SMN1; SMN2 (0.49) | ALDH1A1RAB9ASMN1; SMN2KMT2AMAPT | |
| SCHEMBL22560220 | 0.70 | ALDH1A1 (0.66) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4718936-A | PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |
| EP-0154937-A2 | 6-(3-Thienylmethylamino)-purin, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1985-09-18 | — | — | EP | disclosed |