Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7739532 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19THRATHRB | |
| SCHEMBL28458815 | 0.96 | THRA (0.45) | CYP1A2CYP2C9CYP2C19THRATHRB | |
| SCHEMBL30870395 | 0.94 | LMNA (0.52) | CYP1A2CYP2C9CYP2C19THRATHRB | |
| SCHEMBL28463496 | 0.93 | THRA (0.46) | THRATHRBSMN1; SMN2LMNATSHR | |
| SCHEMBL30695615 | 0.91 | THRA (0.47) | THRATHRBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL21051152 | 0.91 | THRA (0.47) | THRATHRBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28034495 | 0.91 | THRA (0.47) | THRATHRBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28461553 | 0.91 | THRA (0.47) | THRATHRBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL2033249 | 0.91 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19THRATHRB | |
| SCHEMBL13412631 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111732839-B | Phthalocyanine D-Pi-A type asymmetric disc-shaped dye and preparation method thereof | 苏州优特创优新材料科技有限公司 | 2022-05-13 | — | — | CN | disclosed |