Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.45 |
| ▸ | CCR8 | P51685 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29652530 | 0.85 | APLNR (0.45) | APLNRKDM4ELMNACYP1A2CCR1 | |
| SCHEMBL29652590 | 0.84 | APLNR (0.44) | APLNRKDM4ELMNACYP1A2CCR1 | |
| SCHEMBL28891059 | 0.82 | KDM4E (0.45) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL27373020 | 0.81 | APLNR (0.50) | APLNRKDM4ELMNACYP1A2CCR1 | |
| SCHEMBL4466979 | 0.78 | ALDH1A1 (0.56) | APLNRCYP1A2POLBHIF1AALOX15 | |
| SCHEMBL30994515 | 0.76 | KDM4E (0.50) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL7181559 | 0.76 | KDM4E (0.50) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL28959791 | 0.73 | APLNR (0.40) | APLNRKDM4ELMNACYP1A2CCR1 | |
| SCHEMBL858806 | 0.73 | KDM4E (0.72) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL30910111 | 0.71 | MAOA (0.52) | KDM4ELMNACYP1A2CCR1CCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003196-A | Method for synthesizing isothiocyanate | 江西科技师范大学 | 2023-04-25 | — | — | CN | disclosed |
| US-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | disclosed |