Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8117941 | 0.86 | ALDH1A1 (0.53) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL1305150 | 0.83 | TSHR (0.58) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL8126971 | 0.81 | RNF4 (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2NPY5R | |
| SCHEMBL8119099 | 0.78 | MEN1 (0.54) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL9871496 | 0.72 | RAB9A (0.63) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL4554499 | 0.72 | HSD17B10 (0.60) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL11149211 | 0.72 | ALDH1A1 (0.78) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL10613167 | 0.72 | NPC1 (0.83) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL4895782 | 0.71 | RAB9A (1.00) | ALDH1A1RAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL5819195 | 0.71 | KMT2A (0.57) | ALDH1A1RAB9ANPC1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0988292-A2 | PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-29 | — | — | EP | disclosed |
| WO-1998056771-A2 | PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-17 | — | — | WO | disclosed |