Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17366457 | 0.92 | KDM4E (0.30) | ALDH1A1MAPTKDM4ENPSR1TDP1 | |
| SCHEMBL18648229 | 0.87 | SLC2A1 (0.33) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL16633168 | 0.86 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL17693521 | 0.82 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRTDP1NPC1 | |
| SCHEMBL4230096 | 0.82 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL17368714 | 0.80 | — | — | |
| SCHEMBL18648379 | 0.80 | — | — | |
| SCHEMBL16640899 | 0.79 | ALDH1A1 (0.62) | ALDH1A1MAPTKDM4EGAAL3MBTL1 | |
| SCHEMBL17366454 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TSHRTDP1MAPK1CYP3A4 | |
| SCHEMBL19213224 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MAPTKDM4EGAAL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9598608-B2 | Soluble, processable polyhemiaminals and polyhexahydrotriazines | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2017-03-21 | — | — | US | disclosed |
| US-9512332-B2 | Soluble, processable polyhemiaminals and polyhexahydrotriazines | INTERNATIONAL BUSUINESS MACHINES CORPORATION (US) | 2016-12-06 | — | — | US | disclosed |
| US-20150376451-A1 | SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2015-12-31 | — | — | US | disclosed |
| US-20150376442-A1 | SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2015-12-31 | — | — | US | disclosed |