Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8958715 | 1.00 | TPMT (0.47) | TPMTCA1CA2CAPN1CAPN2 | |
| SCHEMBL8635962 | 0.83 | TDP1 (0.48) | AKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL9812652 | 0.83 | CA1 (0.48) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL8958591 | 0.83 | TDP1 (0.48) | AKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL1996915 | 0.82 | AKR1C1 (0.53) | CA1CA2AKR1C3MEN1KMT2A | |
| SCHEMBL2407093 | 0.82 | AKR1C1 (0.53) | CA1CA2AKR1C3MEN1KMT2A | |
| SCHEMBL1996920 | 0.82 | AKR1C1 (0.53) | CA1CA2AKR1C3MEN1KMT2A | |
| SCHEMBL8958673 | 0.81 | AKR1C3 (0.49) | CA1CA2GSK3BAKR1C3MEN1 | |
| SCHEMBL8958964 | 0.81 | HTT (0.50) | CA1CA2AKR1C3MEN1KMT2A | |
| SCHEMBL8958971 | 0.81 | HTT (0.50) | CA1CA2AKR1C3MEN1KMT2A |
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-5519048-A | 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-21 | — | — | US | disclosed |