Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3346134 | 0.83 | ACHE (0.35) | CYP1A2NPC1RAB9AHPGDTSHR | |
| SCHEMBL10936903 | 0.82 | ESR2 (0.33) | CYP1A2TSHRMGAMGAASI | |
| SCHEMBL11362602 | 0.82 | ALDH1A1 (0.38) | CYP1A2TSHRHSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL981110 | 0.81 | TSHR (0.39) | NPC1RAB9AHPGDTSHRALDH1A1 | |
| SCHEMBL8088785 | 0.81 | LMNA (0.38) | NPC1RAB9AHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL2011907 | 0.80 | KDM4E (0.38) | NPC1RAB9ATSHRHSD17B10MGAM | |
| SCHEMBL7873510 | 0.79 | ESR2 (0.46) | CYP1A2MGAMGAASIMGAM2 | |
| SCHEMBL10939277 | 0.79 | AHR (0.45) | NPC1RAB9AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL435757 | 0.79 | CYP1A2 (0.41) | CYP1A2NPC1RAB9ATSHRHSD17B10 | |
| SCHEMBL2884608 | 0.78 | ACHE (0.42) | CYP1A2TSHRALDH1A1CYP3A4CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6407289-B1 | MIXING HEATING BROMOBENZENE WITH M-TOLUIDINE | BOULDER SCIENTIFIC CO. | 2002-06-18 | — | — | US | disclosed |
| US-4524168-A | AZO DYES | CIBA-GEIGY CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |