Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | PDE6D | O43924 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6952191 | 0.83 | ALDH1A1 (0.73) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 | |
| SCHEMBL28712753 | 0.82 | ALDH1A1 (0.59) | CYP19A1ALDH1A1KDM4EHPGDPOLB | |
| SCHEMBL6820233 | 0.80 | CYP19A1 (0.59) | CYP19A1ALDH1A1KDM4EHPGDPOLB | |
| SCHEMBL9353406 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 | |
| SCHEMBL9416230 | 0.77 | ALDH1A1 (0.64) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 | |
| SCHEMBL7478756 | 0.77 | KDM4E (0.68) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 | |
| SCHEMBL27959994 | 0.76 | CYP19A1 (0.59) | CYP19A1ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL9581133 | 0.76 | KDM4E (0.55) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 | |
| SCHEMBL9584036 | 0.75 | CYP19A1 (0.58) | CYP19A1ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL9353451 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDPOLBSMN1; SMN2 |
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-5118814-A | Pressure sensitive and heat sensitive recording media | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-02 | — | — | US | disclosed |
| EP-0370198-A1 | Tetraindolyl heptamethine derivatives | BAYER AG (DE) | 1990-05-30 | — | — | EP | disclosed |