Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 3/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.33 |
| ▸ | CYSLTR2 | Q9NS75 | 7/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 7/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL9305423 | 0.84 | TSHR (0.33) | S1PR2S1PR1CYSLTR2CYSLTR1TSHR | |
| SCHEMBL9307086 | 0.78 | S1PR1 (0.44) | S1PR2S1PR1OXER1GAANPC1 | |
| SCHEMBL9443100 | 0.78 | GPR35 (0.35) | S1PR2S1PR1OXER1CYSLTR2CYSLTR1 | |
| SCHEMBL10867715 | 0.72 | FAAH (0.43) | KMT2ASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL9305489 | 0.71 | KCNH2 (0.35) | TSHRKDM4EGAAHPGDKMT2A | |
| SCHEMBL9305250 | 0.71 | KCNH2 (0.35) | TSHRKDM4EGAAHPGDKMT2A | |
| SCHEMBL9306662 | 0.71 | MEN1 (0.36) | KDM4EGAAHPGDKMT2AMEN1 | |
| SCHEMBL10890202 | 0.71 | PTPN2 (0.43) | KMT2ASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL9306931 | 0.69 | GAA (0.32) | GAAPOLBLMNA | |
| SCHEMBL9306240 | 0.69 | DAGLA (0.42) | MMP13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4612049-A | BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |