Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18085980 | 0.83 | NPC1 (0.41) | NPC1RAB9ACYP2C19ALDH1A1MEN1 | |
| SCHEMBL5783392 | 0.79 | PTPN1 (0.40) | ACHEALDH1A1MEN1KMT2A | |
| SCHEMBL6070144 | 0.77 | EGFR (0.40) | ACHEALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL18063536 | 0.76 | ERN1 (0.51) | NPC1RAB9ACYP2C19ACHEALDH1A1 | |
| SCHEMBL1119892 | 0.75 | NPC1 (0.52) | NPC1RAB9ACYP2C19CA12CA1 | |
| SCHEMBL29404769 | 0.75 | NPC1 (0.52) | NPC1RAB9ACYP2C19CA12CA1 | |
| SCHEMBL16056307 | 0.74 | NPC1 (0.38) | NPC1RAB9AMAOBMEN1KMT2A | |
| SCHEMBL29654713 | 0.74 | HTR2C (0.45) | NPC1RAB9AHTR2AHTR2CCYP3A4 | |
| SCHEMBL515378 | 0.74 | HTR2C (0.45) | NPC1RAB9AHTR2AHTR2CCYP3A4 | |
| SCHEMBL1203850 | 0.73 | ALDH1A1 (0.53) | CYP2C19MAOBCA12CA1CA2 |
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-20160274123-A1 | One-Photon and/or Two-Photon Fluorescent Probe for Sensing Hydrogen Sulfide, Imaging Method of Hydrogen Sulfide Using Same, and Manufacturing Method Thereof | POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) | 2016-09-22 | — | — | US | disclosed |