Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14930703 | 1.00 | TSHR (0.51) | TSHRTDP1SMN1; SMN2PKMALDH1A1 | |
| SCHEMBL18195547 | 0.89 | TSHR (0.57) | TSHRTDP1SMN1; SMN2PKMALDH1A1 | |
| SCHEMBL11837701 | 0.87 | TSHR (0.50) | TSHRTDP1SMN1; SMN2PKMALDH1A1 | |
| SCHEMBL17718252 | 0.85 | TDP1 (0.44) | TSHRTDP1SMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL8909065 | 0.85 | CYP1A2 (0.50) | TSHRTDP1SMN1; SMN2PKMCYP3A4 | |
| SCHEMBL7783972 | 0.85 | TDP1 (0.64) | TSHRTDP1SMN1; SMN2PKMALDH1A1 | |
| SCHEMBL16488808 | 0.81 | TDP1 (0.46) | TSHRTDP1SMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL7781883 | 0.81 | TDP1 (0.46) | TSHRTDP1SMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL7781880 | 0.81 | TDP1 (0.46) | TSHRTDP1ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7194323 | 0.81 | TDP1 (0.50) | TSHRTDP1SMN1; SMN2PKMALDH1A1 |
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-5670701-A | CARBONYLATION OF ALKYL 2 OR 3-PENTENOATE AND ESTERIFICATION WITH ALCOHOL IN THE PRESENCE OF COBALT CATALYST AND NITROGEN BASE | RHONE-POULENC CHIMIE (FR) | 1997-09-23 | — | — | US | disclosed |