Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | POLA1 | P09884 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL15066529 | 0.93 | TSHR (0.61) | TSHRNAAARAD52NPSR1EPHX1 | |
| SCHEMBL16499160 | 0.93 | TSHR (0.61) | TSHRNAAARAD52NPSR1EPHX1 | |
| SCHEMBL194857 | 0.91 | TSHR (0.52) | TSHRALDH1A1HPGDATMNAAA | |
| SCHEMBL6518799 | 0.90 | TSHR (0.41) | TSHRALDH1A1HPGDATMNAAA | |
| SCHEMBL28132099 | 0.89 | TSHR (0.50) | TSHRALDH1A1HPGDATMNAAA | |
| Hydrochloric Acid SCHEMBL10881989 | 0.89 | TSHR (0.50) | TSHRALDH1A1HPGDATMNAAA | |
| SCHEMBL3886490 | 0.89 | TSHR (0.40) | TSHRALDH1A1HPGDPOLBPOLA1 | |
| SCHEMBL23306340 | 0.89 | TSHR (0.56) | TSHRNAAARAD52NPSR1EPHX1 | |
| SCHEMBL11415343 | 0.88 | TSHR (0.41) | TSHRALDH1A1HPGDATMNAAA | |
| SCHEMBL15156040 | 0.87 | TSHR (0.58) | TSHRALDH1A1HPGDATMNAAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2423178-A1 | Process for the production of sitagliptin | Chemo Ibérica, S.A. (ES) | 2012-02-29 | — | — | EP | disclosed |