Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 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 | |
|---|---|---|---|---|
| SCHEMBL14803594 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20392828 | 0.84 | STAT3 (0.48) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL22651727 | 0.81 | STAT3 (0.41) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20978780 | 0.81 | STAT3 (0.47) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16541377 | 0.80 | STAT3 (0.51) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23987286 | 0.79 | HEXA (0.44) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23425466 | 0.78 | HTR4 (0.40) | ALDH1A1KDM4ENPC1SMN1; SMN2MEN1 | |
| SCHEMBL24017161 | 0.77 | MEN1 (0.38) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23340532 | 0.77 | MEN1 (0.49) | ALDH1A1KDM4ENPC1RAB9AMEN1 | |
| SCHEMBL13259587 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9994569-B2 | Chromophores for the detection of volatile organic compounds | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2018-06-12 | — | — | US | disclosed |