Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | PGK1 | P00558 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9306087 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP1A2TSHRDAGLALMNA | |
| SCHEMBL9304779 | 0.78 | KMT2A (0.35) | ALDH1A1CYP1A2TSHRAGTR1AGTR2 | |
| SCHEMBL9305796 | 0.78 | RAB9A (0.38) | ALDH1A1 | |
| SCHEMBL9305822 | 0.76 | MAPT (0.48) | ALDH1A1DAGLALMNAPOLB | |
| SCHEMBL9305210 | 0.73 | ALDH1A1 (0.57) | ALDH1A1LMNAPOLBPIM3PGK1 | |
| SCHEMBL9304375 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP1A2DAGLALMNAPOLB | |
| SCHEMBL9304957 | 0.70 | CA9 (0.35) | ALDH1A1LMNA | |
| SCHEMBL8972643 | 0.70 | TP53 (0.53) | ALDH1A1CYP1A2TSHRLMNAPOLB | |
| SCHEMBL8972448 | 0.69 | LMNA (0.48) | ALDH1A1CYP1A2LMNAPOLB | |
| Diethylamine SCHEMBL10866561 | 0.69 | HDAC4 (0.43) | ALDH1A1LMNAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-4612049-A | BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |