Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | GFER | P55789 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16640899 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| SCHEMBL8715756 | 0.80 | ALDH1A1 (0.83) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| SCHEMBL7062536 | 0.74 | ALDH1A1 (0.80) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| SCHEMBL16633168 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| SCHEMBL8467252 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| SCHEMBL33781 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| Diethylaniline SCHEMBL8678375 | 0.72 | TSHR (0.58) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| Diethylaniline SCHEMBL27854140 | 0.72 | TDP1 (0.67) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL970321 | 0.71 | ALDH1A1 (0.95) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL970320 | 0.71 | ALDH1A1 (0.95) | ALDH1A1TDP1MAPK1TSHRL3MBTL1 |
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 |