Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10849346 | 0.90 | ALDH1A1 (0.42) | GAAPOLBNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11214622 | 0.89 | ALDH1A1 (0.41) | GAAPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10846141 | 0.88 | NPC1 (0.45) | EGFRNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL10849969 | 0.80 | ALDH1A1 (0.44) | GAAPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11185651 | 0.77 | ALDH1A1 (0.43) | GAAPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11060055 | 0.76 | EGFR (0.53) | POLBEGFRSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL11185034 | 0.74 | POLB (0.43) | GAAPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10847822 | 0.71 | RAB9A (0.39) | POLBNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL11185641 | 0.70 | MAPT (0.47) | GAANPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6294304 | 0.70 | MEN1 (0.64) | MAPTALDH1A1TP53MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4622401-A | ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1986-11-11 | — | — | US | disclosed |
| US-4376122-A | Novel 3-substituted amino-1-heteroaryl-2-pyrazolines | AMERICAN CYANAMID COMPANY (US) | 1983-03-08 | — | — | US | disclosed |
| EP-0070376-A1 | Heterocyclic substituted-amino-pyrazolines | AMERICAN CYANAMID COMPANY (US) | 1983-01-26 | — | — | EP | disclosed |