Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 3/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL3678520 | 0.93 | ALDH1A1 (0.36) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL11766667 | 0.83 | ALDH1A1 (0.36) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL5082572 | 0.78 | AKR1B1 (0.38) | CA1CA2ALDH1A1TDP1ERN1 | |
| SCHEMBL13894546 | 0.78 | IMPDH2 (0.37) | CA1CA2MEN1KMT2AMAPT | |
| SCHEMBL28363113 | 0.76 | AKR1B1 (0.37) | CA1CA2ALDH1A1TDP1ERN1 | |
| SCHEMBL22568074 | 0.75 | CA1 (0.38) | CA1CA2ALDH1A1TDP1ERN1 | |
| SCHEMBL8382365 | 0.75 | TNFRSF1A (0.34) | ALDH1A1MEN1KMT2ATDP1MAPT | |
| SCHEMBL8378978 | 0.73 | TNFRSF1A (0.33) | — | |
| SCHEMBL3805142 | 0.73 | ALDH1A1 (0.50) | CA1CA2ALDH1A1MEN1KMT2A | |
| SCHEMBL881433 | 0.73 | ERN1 (0.40) | ALDH1A1TDP1ERN1MAPTPRKDC |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313305-B1 | ANTIBIOTICS, BACTERICIDES | HOECHST MARION ROUSSEL (FR) | 2001-11-06 | — | — | US | disclosed |
| US-5883248-A | QUATERNARY AMMONIUM INTERMEDIATES | ROUSSEL UCLAF (FR) | 1999-03-16 | — | — | US | disclosed |
| US-5763617-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-06-09 | — | — | US | disclosed |
| US-5728828-A | A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS | ROUSSEL UCLAF (FR) | 1998-03-17 | — | — | US | disclosed |
| US-5712266-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-01-27 | — | — | US | disclosed |
| US-5587372-A | BACERICIDES | ROUSSEL UCLAF (FR) | 1996-12-24 | — | — | US | disclosed |