Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL27346910 | 0.87 | TSHR (0.49) | TSHRHMGB1ALDH1A1MYCALOX15 | |
| Benzene SCHEMBL28200229 | 0.80 | TSHR (0.52) | TSHRHMGB1ALDH1A1SMN1; SMN2MYC | |
| Butane SCHEMBL27416321 | 0.78 | TSHR (0.53) | TSHRALDH1A1SMN1; SMN2MYCALOX15 | |
| SCHEMBL27498334 | 0.78 | TSHR (0.44) | TSHRCA12CA9ALDH1A1MYC | |
| Monoethanolamine SCHEMBL28800952 | 0.77 | HMGB1 (0.49) | TSHRHMGB1ALDH1A1MYCALOX15 | |
| Hydrochloric Acid SCHEMBL28037103 | 0.76 | TSHR (0.42) | TSHRCA12CA9ALDH1A1MYC | |
| Octadecylamine SCHEMBL28210994 | 0.76 | ALDH1A1 (0.44) | TSHRCA12CA9HMGB1ALDH1A1 | |
| SCHEMBL28857359 | 0.75 | TSHR (0.47) | TSHRHMGB1ALDH1A1SMN1; SMN2MYC | |
| Propanol SCHEMBL27261793 | 0.75 | TSHR (0.50) | TSHRALDH1A1SMN1; SMN2MYCALOX15 | |
| Fluoride SCHEMBL28179115 | 0.75 | TSHR (0.50) | TSHRALDH1A1MYCALOX15KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102448429-B | Benzylidene malonates | 巴斯夫欧洲公司 | 2018-03-06 | — | — | CN | claimed |