Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | DAO | P14920 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
| ▸ | SELP | P16109 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5489140 | 0.79 | DAO (0.45) | TSHRDAOAKR1C2AKR1C1AKR1C4 | |
| SCHEMBL5484511 | 0.77 | DAO (0.43) | TSHRDAOAKR1C2AKR1C1AKR1C4 | |
| SCHEMBL18701630 | 0.77 | DAO (0.43) | TSHRDAOAKR1C2AKR1C1AKR1C4 | |
| SCHEMBL5150537 | 0.76 | TSHR (0.46) | TSHRDAOAKR1C2AKR1C1AKR1C4 | |
| SCHEMBL18701669 | 0.76 | DAO (0.42) | TSHRDAOAKR1C2AKR1C1AKR1C4 | |
| SCHEMBL8632005 | 0.76 | DAO (0.42) | TSHRDAOAKR1C3ALDH1A1HPGD | |
| SCHEMBL1328328 | 0.71 | MEN1 (0.49) | TSHRDAOALDH1A1HSD17B10HPGD | |
| SCHEMBL6999747 | 0.70 | TSHR (0.41) | TSHRDAOALDH1A1HSD17B10HPGD | |
| SCHEMBL18701570 | 0.68 | GPR35 (0.46) | TSHRDAOALDH1A1CA1CA2 | |
| SCHEMBL11469443 | 0.67 | MEN1 (0.41) | TSHRDAOALDH1A1HSD17B10HPGD |
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-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | disclosed |