Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4029597 | 0.96 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| Hydrochloric Acid SCHEMBL9957962 | 0.93 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| Bicarbonate SCHEMBL3973739 | 0.88 | ALDH1A1 (0.64) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| SCHEMBL1996992 | 0.83 | F2 (0.50) | ALDH1A1TP53MAPTGAANPC1 | |
| Nitric Acid SCHEMBL4613840 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| SCHEMBL27465968 | 0.81 | PTPN1 (0.69) | ALDH1A1MEN1KMT2ATP53POLB | |
| SCHEMBL3674744 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| Hydrochloric Acid SCHEMBL16702582 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| SCHEMBL29430229 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AIDO1TP53 | |
| SCHEMBL12978443 | 0.77 | ESR1 (0.56) | ALDH1A1IDO1NOS1NOS2CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4326074-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4115564-A | Treatment of diarrhea with amidinoureas | WILLIAM H. RORER, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4025652-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1977-05-24 | — | — | US | disclosed |