Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | QPCT | Q16769 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5849720 | 0.81 | CYP11B1 (0.66) | TSHRPOLBCTDSP1TDP1KMT2A | |
| SCHEMBL19390253 | 0.78 | CYP19A1 (0.71) | QPCTPRKCIALDH1A1 | |
| SCHEMBL17482336 | 0.78 | MEN1 (0.64) | TSHRKMT2AQPCTHTTMEN1 | |
| SCHEMBL11261839 | 0.75 | KDM4E (0.50) | TSHRPOLBCTDSP1TDP1KMT2A | |
| SCHEMBL5161458 | 0.74 | PRKCI (0.46) | KMT2AHTTMEN1TP53MAPK1 | |
| SCHEMBL10247237 | 0.74 | HMOX1 (0.72) | TSHRQPCTPRKCI | |
| SCHEMBL11636080 | 0.72 | KMT2A (0.53) | TSHRPOLBCTDSP1TDP1KMT2A | |
| SCHEMBL6992090 | 0.72 | CYP11B1 (0.71) | TSHRKMT2AMEN1MAPK1PRKCI | |
| SCHEMBL11245721 | 0.71 | POLB (0.48) | TSHRPOLBCTDSP1TDP1KMT2A | |
| SCHEMBL11270506 | 0.71 | TBXAS1 (0.51) | TSHRPOLBCTDSP1TDP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |