Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3480225 | 0.90 | HSD17B2 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9799085 | 0.87 | TDP1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12493300 | 0.86 | TAS1R3 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6401723 | 0.86 | HSD17B2 (0.61) | HSD17B2LMNAKDM4EMEN1KMT2A | |
| SCHEMBL1715159 | 0.86 | THRA (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6582142 | 0.86 | MEN1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5412826 | 0.83 | KDM4E (0.50) | THRATHRBHPGDKDM4ETP53 | |
| SCHEMBL27532264 | 0.82 | HSD17B2 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12493009 | 0.82 | CYP1A2 (0.56) | THRATHRBTAS1R3TAS1R1ESR1 | |
| SCHEMBL1259559 | 0.81 | THRA (0.52) | THRATHRBTAS1R3TAS1R1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43098-E1 | Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-01-10 | — | — | US | disclosed |