Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28702972 | 0.90 | TSHR (0.47) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL1665838 | 0.86 | TSHR (0.43) | TSHRALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL28506010 | 0.84 | F2 (0.45) | TSHRALDH1A1HSD17B10POLBHPGD | |
| SCHEMBL5875070 | 0.81 | NPC1 (0.44) | TSHRALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL5874855 | 0.78 | RXFP1 (0.47) | TSHRALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL11420640 | 0.73 | HPGD (0.33) | TSHRALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL27623792 | 0.73 | ALDH1A1 (0.46) | TSHRALDH1A1HPGDSMN1; SMN2MEN1 | |
| SCHEMBL6940955 | 0.71 | CA12 (0.44) | ALDH1A1HSD17B10POLBHPGDSMN1; SMN2 | |
| SCHEMBL5874810 | 0.71 | NPC1 (0.55) | TSHRALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL25719160 | 0.71 | EPHX1 (0.52) | TSHRALDH1A1HSD17B10KDM4EHPGD |
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-1999010561-A1 | CORROSION INHIBITOR FOR ALKANOLAMINE UNITS | BETZDEARBORN INC. (US) | 1999-03-04 | — | — | WO | disclosed |