Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.62 |
| ▸ | MAOA | P21397 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL27621609 | 0.98 | MAOB (0.60) | MAOBMAOATSHRNPC1RAB9A | |
| SCHEMBL22209331 | 0.96 | MAOB (0.71) | MAOBMAOATSHRNPC1RAB9A | |
| Methylamine SCHEMBL9350485 | 0.87 | TAAR1 (0.55) | MAOBMAOATSHRNPC1RAB9A | |
| SCHEMBL11594885 | 0.87 | TP53 (0.58) | CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2 | |
| Benzene SCHEMBL28308118 | 0.87 | TP53 (0.58) | CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2 | |
| SCHEMBL40575 | 0.87 | — | — | |
| Benzene SCHEMBL3223041 | 0.87 | TP53 (0.58) | CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2 | |
| 4-Bromoaniline SCHEMBL8828005 | 0.86 | MAOB (0.57) | MAOBMAOANPC1RAB9ACYP19A1 | |
| Bromide SCHEMBL7216374 | 0.85 | TP53 (0.55) | CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2 | |
| SCHEMBL10686071 | 0.85 | TP53 (0.55) | CYP2A6HTR2ASMN1; SMN2TAAR1LOXL2 |
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-5504253-A | Amine preparation | NPS PHARMACEUTICALS, INC. (US) | 1996-04-02 | — | — | US | claimed |
| WO-1996002492-A1 | METHOD OF MAKING A BENZYLPROPANAMINE | NSP PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | claimed |
| US-5648540-A | Amine preparation | NPS PHARMACEUTICALS, INC. (US) | 1997-07-15 | — | — | US | disclosed |