Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981380 | 1.00 | ALDH1A1 (0.33) | ALDH1A1KDM4ESMN1; SMN2TSHRHTT | |
| SCHEMBL31621900 | 0.80 | NOS1 (0.37) | ALDH1A1KDM4ESMN1; SMN2TSHRHTT | |
| SCHEMBL11154190 | 0.77 | NOS1 (0.40) | ALDH1A1KDM4ESMN1; SMN2TSHRHTT | |
| SCHEMBL11154919 | 0.77 | NOS1 (0.40) | ALDH1A1KDM4ESMN1; SMN2TSHRHTT | |
| SCHEMBL16053495 | 0.77 | CA1 (0.30) | — | |
| SCHEMBL28122037 | 0.76 | SMN1; SMN2 (0.43) | ALDH1A1KDM4ESMN1; SMN2TSHRHTT | |
| SCHEMBL4039458 | 0.76 | NOS3 (0.37) | ALDH1A1KDM4ESMN1; SMN2TSHRNPC1 | |
| SCHEMBL9860940 | 0.76 | NOS3 (0.37) | ALDH1A1KDM4ESMN1; SMN2TSHRNPC1 | |
| SCHEMBL4039461 | 0.76 | NOS3 (0.37) | ALDH1A1KDM4ESMN1; SMN2TSHRNPC1 | |
| SCHEMBL11275742 | 0.75 | TSHR (0.46) | ALDH1A1SMN1; SMN2TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |