Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28434277 | 0.88 | SIGMAR1 (0.39) | SIGMAR1CHRM5CHRM3KDM5CKDM4C | |
| Piperazine SCHEMBL28219481 | 0.82 | KDM4E (0.54) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL23014609 | 0.82 | KDM4E (0.54) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL3832605 | 0.82 | KDM4E (0.54) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL10615036 | 0.82 | KDM4E (0.54) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL12231842 | 0.80 | KDM4E (0.46) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL7995038 | 0.80 | CA2 (0.38) | SIGMAR1POLBPKMTSHRALDH1A1 | |
| SCHEMBL1446922 | 0.80 | CA2 (0.38) | SIGMAR1POLBPKMTSHRALDH1A1 | |
| SCHEMBL13833227 | 0.80 | KDM4E (0.56) | KDM4ESIGMAR1CHRM5CHRM3POLB | |
| SCHEMBL422666 | 0.80 | KDM4E (0.56) | KDM4ESIGMAR1CHRM5CHRM3POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292689-B1 | Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs | BRACCO INT BV (NL) | 1996-07-31 | — | — | EP | claimed |
| US-4885363-A | RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS | E. R. SQUIBB & SONS, INC. (US) | 1989-12-05 | — | — | US | claimed |
| EP-0292689-A2 | Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs | BRACCO INTERNATIONAL B.V. (NL) | 1988-11-30 | — | — | EP | claimed |