Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658598 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HDAC1HDAC6HDAC3HDAC2 | |
| SCHEMBL7738811 | 0.91 | NPC1 (0.58) | ALDH1A1TSHRNPC1LMNARAB9A | |
| SCHEMBL27666141 | 0.78 | ALDH1A1 (0.57) | ALDH1A1 | |
| SCHEMBL10898040 | 0.77 | HPGD (0.47) | ALDH1A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL8351343 | 0.76 | ALDH1A1 (0.79) | ALDH1A1TSHRNPC1LMNARAB9A | |
| SCHEMBL20777933 | 0.75 | PSMB11 (0.60) | ALDH1A1TSHRNPC1LMNARAB9A | |
| SCHEMBL20113375 | 0.74 | AR (0.59) | TSHRRORC | |
| SCHEMBL1378821 | 0.74 | AR (0.44) | ALDH1A1CYP1A2CYP2C19RORC | |
| SCHEMBL2093493 | 0.73 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL23986069 | 0.73 | SAE1 (0.67) | ALDH1A1TSHRNPC1LMNARAB9A |
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-5051493-A | Condensation polymerization of bis phthalonitrile resins containing amide, ether or imine groups in the presence of phthalocyanines to give uniform polymers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1991-09-24 | — | — | US | disclosed |
| US-4195166-A | Alkanediamide-linked polyphthalocyanines coordinated with SnCl2 | THE UNITED STATE OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1980-03-25 | — | — | US | disclosed |