Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TACR1 | P25103 | 6/20 | 0.47 |
| ▸ | PPID | Q08752 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936508 | 0.84 | TACR1 (0.59) | KDM4EALDH1A1TACR1HPGDGLA | |
| SCHEMBL9175542 | 0.82 | KDM4E (0.46) | KDM4EALDH1A1PPIDHPGDGLA | |
| SCHEMBL9179860 | 0.74 | RAB9A (0.50) | KDM4EALDH1A1HPGDPKMRAB9A | |
| SCHEMBL3118260 | 0.71 | TACR1 (0.49) | KDM4EALDH1A1TACR1RAB9AGAA | |
| SCHEMBL9177055 | 0.69 | TACR1 (0.56) | KDM4EALDH1A1TACR1HPGDPKM | |
| SCHEMBL8936446 | 0.69 | TACR1 (0.49) | KDM4EALDH1A1TACR1RAB9ALMNA | |
| SCHEMBL1849044 | 0.69 | CDK9 (0.54) | ALDH1A1LMNATP53HSD17B10 | |
| SCHEMBL8784961 | 0.68 | TACR1 (0.86) | ALDH1A1TACR1HPGDGAATP53 | |
| SCHEMBL8936431 | 0.68 | TACR1 (0.56) | KDM4EALDH1A1TACR1RAB9ALMNA | |
| SCHEMBL8936490 | 0.68 | TACR1 (0.73) | TACR1PPIDRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481383-B1 | Heterocyclic amine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5300646-A | Intermediates for acylcoenzyme A:cholesterol acyltransferase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-05 | — | — | US | disclosed |
| US-5198462-A | Acyl Coenzyme A:Cholesterol Transferase Inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-30 | — | — | US | disclosed |
| EP-0481383-A1 | Heterocyclic amine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1992-04-22 | — | — | EP | disclosed |